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CAS RN: 80029-43-2 | Product Number: H0468
1-Hydroxybenzotriazole Monohydrate
Purity: >97.0%(T)
- 1,2,3-Benzotriazol-1-ol Monohydrate
- HOBt Monohydrate
Size | Unit Price | Philadelphia, PA | Portland, OR | Japan* | Quantity |
---|---|---|---|---|---|
25G |
$56.00
|
≥80 | 35 | ≥100 |
|
200G |
$210.00
|
3 | 2 | ≥100 |
|
* Items in stock locally ship in 1-2 business days. Items from Japan stock are able to ship from a US warehouse within 2 weeks. Please contact TCI for lead times on items not in stock. Excludes regulated items and items that ship on ice.
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Product Number | H0468 |
Purity / Analysis Method | >97.0%(T) |
Molecular Formula / Molecular Weight | C__6H__5N__3O·H__2O = 153.15 |
Physical State (20 deg.C) | Solid |
Storage Temperature | Room Temperature (Recommended in a cool and dark place, <15°C) |
Condition to Avoid | Light Sensitive |
CAS RN | 80029-43-2 |
Related CAS RN | 123333-53-9&2592-95-2 |
Reaxys Registry Number | 5627231 |
PubChem Substance ID | 125309491 |
SDBS (AIST Spectral DB) | 4489 |
MDL Number | MFCD00065690 |
Appearance | White to Almost white powder to crystal |
Purity(Neutralization titration) | min. 97.0 % |
Solubility in Methanol | almost transparency |
Water | 11.0 to 16.0 % |
Melting Point | 160 °C |
Solubility (soluble in) | Methanol |
Pictogram | |
Signal Word | Warning |
Hazard Statements | H320 : Causes eye irritation. H412 : Harmful to aquatic life with long lasting effects. H228 : Flammable solid. |
Precautionary Statements | P501 : Dispose of contents/ container to an approved waste disposal plant. P273 : Avoid release to the environment. P240 : Ground/bond container and receiving equipment. P210 : Keep away from heat/sparks/open flames/hot surfaces. No smoking. P241 : Use explosion-proof electrical/ ventilating/ lighting/ equipment. P264 : Wash skin thoroughly after handling. P280 : Wear protective gloves/ eye protection/ face protection. P370 + P378 : In case of fire: Use dry sand, dry chemical or alcohol-resistant foam to extinguish. P337 + P313 : If eye irritation persists: Get medical advice/ attention. P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. |
RTECS# | DM1288000 |
UN Number (DOT-AIR) | UN3474 |
Class (DOT-AIR) | 4.1 |
Packing Group (TCI-A) | I |
HS Number | 2933.99.9701 |
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Used Chemicals
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Procedure
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1-(2-methoxyphenyl)piperazine (500 mg, 2.60 mmol) was dissolved in DMF (15 mL). To this solution was added N-benzyloxycarbonyl-L-phenylalanine (770 mg, 2.60 mmol) and HOBt·H2O (414 mg, 2.71 mmol). The reaction mixture was cooled to 0 °C, then EDC·HCl (515 mg, 2.71 mmol) was added. Reaction was allowed to warm to room temperature, then stirred for 20 h at room temperature. Complete of the reaction was confirmed by TLC. Reaction was quenched by adding H2O (20 mL). Reaction mixture was extracted by EtOAc (30 mL). Organic phase was washed with H2O (20 mL, twice) and brine (20 mL), dried over Na2SO4, concentrated under reduced pressure to afford the crude product (1.2 g) as pale yellow oil. The crude product was purified by column chromatography on silica gel (hexane : ethyl acetate = 40 : 60) to afford the product 1 as a white powder (1.10 g, 2.32 mmol, 90%).
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Experimenter's Comments
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The reaction mixture was monitored by TLC (hexane / ethyl acetate = 4 : 6, Rf = 0.40)
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Analytical Data(Compound 1)
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1H NMR (400 MHz, CDCl3); δ 7.39-7.16 (m, 10H), 6.99 (m, 1H), 6.91-6.84 (m, 2H), 6.78 (m, 1H), 5.73 (d, J = 8,2 Hz, 1H), 5.12-5.01 (m, 2H), 4.91 (dd, J= 7.7, 7.3 Hz, 1H), 3.82 (s, 3H), 3.71-3.63 (m, 2H), 3.51 (m, 1H), 3.31 (m, 1H), 3.07-2.78 (m, 5H), 2.51 (m, 1H).
HOBt is widely used in condensing reaction as an activating agent.
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Used Chemicals
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Procedure
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To a solution of N-(tert-butoxycarbonyl)-L-leucine monohydrate (2.49 g, 10.0 mmol), L-phenylalanine methyl ester hydrochloride (2.16 g, 10.0 mmol), N,N-diisopropylethylamine (2.59 g, 20.0 mmol) and HOBt·H2O (1.53 g, 10.0 mmol) in acetonitrile (46 mL) was added DCC (granulated, 2.06 g, 10.0 mmol) in acetonitrile (7 mL) at 0 °C and the mixture was stirred at 0 °C for 1 hour. The suspension was warmed at room temperature for 3 hours. The suspension was filtrated and the solvent was removed under reduced pressure. The residue was diluted with ethyl acetate (75 mL) and washed with 0.33 mol/L citric acid solution (50 mL), saturated aqueous sodium bicarbonate solution (50 mL, twice) and water (50 mL), dried over sodium sulfate and filtered. The solvent was removed under reduced pressure and the residue was purified by column chromatography (1 : 3 ethyl acetate / hexane on SiO2), giving Boc-Leu-Phe-OMe as a white solid (3.42 g, 87%).
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Experimenter’s Comments
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The reaction mixture was monitored by TLC (ethyl acetate / hexane = 2 : 1, Rf = 0.38).
DCC was weighed promptly not to melt while being weighed.
To avoid a rash by DCC, appropriate protective equipment is used and the work was done in a fume hood.
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Analytical Data(Boc-Leu-Phe-OMe)
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1H NMR (400 MHz, CDCl3); δ 7.28–7.19 (m, 3H), 7.08 (brd, 2H, J = 7.2 Hz), 6.51 (d, 1H,J = 8.0 Hz), 4.85–4.80 (m, 2H), 4.12–4.07 (m, 1H), 3.68 (s, 3H), 3.15–3.03 (m, 2H), 1.66–1.57 (m, 2H), 1.41 (brs, 10H), 0.89 (t, 6H, J = 6.0 Hz).
13C NMR (101 MHz, CDCl3); δ 172.1, 171.6, 155.4, 135.7, 129.2, 128.5, 127.1, 80.0, 53.1, 52.2, 41.2, 37.9, 28.2, 24.6, 22.8, 21.9.
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Lead Reference
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- 17α-Ethynylestradiol Peptide Labeling by ‘Click’ Chemistry
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Other References
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- Synthesis of Natural and Unnatural Cyclooligomeric Depsipeptides Enabled by Flow Chemistry
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C of A & Other Certificates
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