methyl 2H-benzotriazole-4-carboxylate

Base Information

Chemical Name:methyl 2H-benzotriazole-4-carboxylate
CAS No.:120723-06-0
Molecular Formula:C8H7 N3 O2
Molecular Weight:177.162
Hs Code.:
European Community (EC) Number:880-111-6
DSSTox Substance ID:DTXSID00561383
Nikkaji Number:J354.085E
Wikidata:Q82445172
Mol file:120723-06-0.mol

Synonyms:120723-06-0;1H-Benzotriazole-4-carboxylic acid methyl ester;methyl 1H-1,2,3-benzotriazole-4-carboxylate;methyl 2H-benzotriazole-4-carboxylate;Methyl 1H-benzo[d][1,2,3]triazole-7-carboxylate;MFCD09749676;4-carbomethoxybenzotriazole;1H-Benzotriazolecarboxylic acid, methyl ester;SCHEMBL717583;DTXSID00561383;DSQFYUWSAZEJBL-UHFFFAOYSA-N;AKOS005254830;EN300-219465;F74994;Methyl1H-benzo[d][1,2,3]triazole-7-carboxylate;Methyl 1H-benzo[d][1,2,3]triazole-4-carboxylate

Suppliers and Price of methyl 2H-benzotriazole-4-carboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
METHYL-1H-1,2,3-BENZOTRIAZOLE-4-CARBOXYLATE 95.00%
5MG
$ 502.32

Total 5 raw suppliers

Chemical Property of methyl 2H-benzotriazole-4-carboxylate

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Refractive Index:1.658
Boiling Point:413.6°Cat760mmHg
PKA:7.17±0.40(Predicted)
Flash Point:203.9°C
PSA：67.87000
Density:1.403g/cm³
LogP:0.74450
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:177.053826475
Heavy Atom Count:13
Complexity:210

Purity/Quality:

NLT 98% ^*data from raw suppliers

METHYL-1H-1,2,3-BENZOTRIAZOLE-4-CARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC=CC2=NNN=C21

Technology Process of methyl 2H-benzotriazole-4-carboxylate

There total 4 articles about methyl 2H-benzotriazole-4-carboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 79.0%

: 107582-20-7
2,3-diaminobenzoic acid methyl ester

: 120723-06-0
1H-benzotriazole-4-carboxylic acid methyl ester

Guidance literature:: With acetic acid; sodium nitrite; at 20 ℃; for 16h;

Reference yield:

: 107582-20-7
2,3-diaminobenzoic acid methyl ester

: 120723-06-0
1H-benzotriazole-7-carboxylic acid methyl ester

Guidance literature:: With acetic acid; sodium nitrite; In acetic acid; at 20 ℃; for 18h;
DOI:10.1016/j.cclet.2017.02.004

Reference yield:

: 57113-91-4
methyl 3-nitroanthranilate

: 120723-06-0
1H-benzotriazole-7-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: palladium 10% on activated carbon; hydrogen / ethyl acetate / 3 h / 20 °C

2: acetic acid; sodium nitrite / acetic acid / 18 h / 20 °C

With palladium 10% on activated carbon; hydrogen; acetic acid; sodium nitrite; In acetic acid; ethyl acetate;
DOI:10.1016/j.cclet.2017.02.004