BENZOTRIAZOL-1-YL-BENZYLOXYCARBONYLAMINO-ACETIC ACID
- Product Name
- BENZOTRIAZOL-1-YL-BENZYLOXYCARBONYLAMINO-ACETIC ACID
- CAS No.
- 124676-19-3
- Chemical Name
- BENZOTRIAZOL-1-YL-BENZYLOXYCARBONYLAMINO-ACETIC ACID
- Synonyms
- 2-(1H-Benzo[d][1,2,3]triazol-1-yl);Benzotriazole-1H-ylbenzyloxyaminoaceticacid;BENZOTRIAZOL-1-YL-BENZYLOXYCARBONYLAMINO-ACETIC ACID;2-(Benzotriazol-1-yl)-2-(phenylmethoxycarbonylamino)acetic acid;2-(1H-Benzotriazol-1-yl)-2-[(benzyloxycarbonyl)amino]acetic acid;α-[[(PhenylMethoxy)carbonyl]aMino]-1H-benzotriazole-1-acetic Acid;a-[[(Phenylmethoxy)carbonyl]amino]-1H-benzotriazole-1-acetic Acid;1H-1,2,3-benzotriazol-1-yl{[(benzyloxy)carbonyl]amino}acetic acid;1H-Benzotriazole-1-acetic acid, α-[[(phenylmethoxy)carbonyl]amino]-;alpha-[[(Phenylmethoxy)carbonyl]amino]-1H-benzotriazole-1-acetic acid
- CBNumber
- CB6160605
- Molecular Formula
- C16H14N4O4
- Formula Weight
- 326.31
- MOL File
- 124676-19-3.mol
BENZOTRIAZOL-1-YL-BENZYLOXYCARBONYLAMINO-ACETIC ACID Property
- Melting point:
- 162-164℃
- Boiling point:
- 596.4±50.0 °C(Predicted)
- Density
- 1.43
- storage temp.
- 2-8°C
- pka
- 2.55±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C16H14N4O4/c21-15(22)14(20-13-9-5-4-8-12(13)18-19-20)17-16(23)24-10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,17,23)(H,21,22)
- InChIKey
- BNCGQJZQVLAXAB-UHFFFAOYSA-N
- SMILES
- N1(N=NC2C=CC=CC1=2)C(C(=O)O)NC(=O)OCC1=CC=CC=C1
Safety
- HS Code
- 2933998090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- P335615
- Product name
- α-[[(Phenylmethoxy)carbonyl]amino]-1H-benzotriazole-1-aceticAcid
- Packaging
- 1g
- Price
- $165
- Updated
- 2021/12/16
- Product number
- FB165357
- Product name
- (Benzotriazol-1-yl)(benzyloxycarbonylamino)acetic acid
- Packaging
- 50mg
- Price
- $50
- Updated
- 2021/12/16
- Product number
- OR912609
- Product name
- 2-(Benzotriazol-1-yl)-2-(phenylmethoxycarbonylamino)aceticacid
- Packaging
- 100mg
- Price
- $70
- Updated
- 2021/12/16
- Product number
- CS-M3218
- Product name
- (Benzotriazol-1-yl)(benzyloxycarbonylamino)aceticacid
- Packaging
- 100mg
- Price
- $74
- Updated
- 2021/12/16
- Product number
- FB165357
- Product name
- (Benzotriazol-1-yl)(benzyloxycarbonylamino)acetic acid
- Packaging
- 100mg
- Price
- $80
- Updated
- 2021/12/16
BENZOTRIAZOL-1-YL-BENZYLOXYCARBONYLAMINO-ACETIC ACID Chemical Properties,Usage,Production
Uses
α-[[(Phenylmethoxy)carbonyl]amino]-1H-benzotriazole-1-acetic Acid is used in the synthesis of inhibitors of BET bromodomains. Also used in the synthesis of benzodiazepine-based SUMO-specific protein kinases.
Synthesis
95-14-7
621-84-1
298-12-4
124676-19-3
In a 250-mL flask equipped with a mechanical stirrer, 2-oxoacetic acid hydrate (9.2 g, 0.1 mol), benzyl carbamate (15.1 g, 0.1 mol), and 1H-benzo[d][1,2,3]triazole (9.2 g, 0.1 mol) were added sequentially, and then toluene (300 mL) was added as solvent. The reaction mixture was heated to 120 °C in an oil bath with continuous stirring for 2 hours. After completion of the reaction, the mixture was filtered and the solid product was collected. The solid residue was washed with petroleum ether (3 times) and subsequently dried under vacuum to afford the target compound 2-(1H-benzo[d][1,2,3]triazol-1-yl)-2-(((benzyloxy)carbonyl)amino)acetic acid (28.6 g, 87% yield) as a white solid, which was ready for use in the subsequent reaction without further purification. The molecular ion peak m/z was measured by electrospray ionization mass spectrometry (ESI-MS) analysis: 327 [M + H]+.
References
[1] ACS Medicinal Chemistry Letters, 2015, vol. 6, # 5, p. 523 - 527
[2] Patent: WO2017/15449, 2017, A1. Location in patent: Page/Page column 51
[3] Patent: US2018/193352, 2018, A1. Location in patent: Paragraph 0205; 0206; 0207
[4] Journal of Organic Chemistry, 1990, vol. 55, # 4, p. 2206 - 2214
[5] Journal of the Chemical Society, Chemical Communications, 1989, # 6, p. 337 - 338
BENZOTRIAZOL-1-YL-BENZYLOXYCARBONYLAMINO-ACETIC ACID Preparation Products And Raw materials
Raw materials
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