2-Methoxycarbonylamino-3H-benzoimidazole-5-carboxylic acid

Base Information

Chemical Name:2-Methoxycarbonylamino-3H-benzoimidazole-5-carboxylic acid
CAS No.:65003-40-9
Molecular Formula:C₁₀H₉N₃O₄
Molecular Weight:235.199
Hs Code.:2933990090
European Community (EC) Number:622-114-5
ChEMBL ID:CHEMBL358690
DSSTox Substance ID:DTXSID00516136
Nikkaji Number:J459.041D
Wikidata:Q82377414
Mol file:65003-40-9.mol

Synonyms:65003-40-9;2-Methoxycarbonylamino-3H-benzoimidazole-5-carboxylic acid;2-((methoxycarbonyl)amino)-1H-benzo[d]imidazole-5-carboxylic acid;2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid;2-[(Methoxycarbonyl)amino]-1H-benzimidazole-6-carboxylic acid;2-[(Methoxycarbonyl)amino]-1H-1,3-benzodiazole-6-carboxylic acid;MFCD07371424;2-[(METHOXYCARBONYL)AMINO]-1H-1,3-BENZODIAZOLE-5-CARBOXYLIC ACID;methyl 5-carboxy-1H-benzimidazole-2-carbamate;CHEMBL358690;SCHEMBL6320497;SCHEMBL18762324;2-Methoxycarbonylamino-3H-benzimidazole-5-carboxylic acid;DTXSID00516136;GIGRDSFULBVHHT-UHFFFAOYSA-N;BCP34565;AKOS005257146;AKOS021982524;AM807615;AS-71281;CS-0127003;A918267;2-((methoxycarbonyl)amino)-1H-benzo[d]imidazole-5-carboxylicacid;2-Methoxycarbonylamino-1H-benzoimidazole-6-carboxylic acid, 97%

Suppliers and Price of 2-Methoxycarbonylamino-3H-benzoimidazole-5-carboxylic acid

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

Sigma-Aldrich
2-Methoxycarbonylamino-1H-benzoimidazole-6-carboxylic acid 97%
1g
$ 139.00

Crysdot
2-((Methoxycarbonyl)amino)-1H-benzo[d]imidazole-5-carboxylicacid 95+%
1g
$ 402.00

Chemenu
2-((Methoxycarbonyl)amino)-1H-benzo[d]imidazole-5-carboxylicacid 95%
1g
$ 380.00

American Custom Chemicals Corporation
2-METHOXYCARBONYLAMINO-1H-BENZOIMIDAZOLE-6-CARBOXYLIC ACID 95.00%
1G
$ 702.30

Alichem
2-((Methoxycarbonyl)amino)-1H-benzo[d]imidazole-5-carboxylicacid
5g
$ 1547.52

Alichem
2-((Methoxycarbonyl)amino)-1H-benzo[d]imidazole-5-carboxylicacid
1g
$ 530.72

Alichem
2-((Methoxycarbonyl)amino)-1H-benzo[d]imidazole-5-carboxylicacid
250mg
$ 217.80

Activate Scientific
2-Methoxycarbonylamino-3H-benzoimidazole-5-carboxylicacid 95%
250 mg
$ 137.00

Total 17 raw suppliers

Chemical Property of 2-Methoxycarbonylamino-3H-benzoimidazole-5-carboxylic acid

Chemical Property:

Melting Point:280-286°C
Refractive Index:1.744
PKA:3.11±0.30(Predicted)
PSA：104.31000
Density:1.599g/cm³
LogP:1.51240
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:235.05930578
Heavy Atom Count:17
Complexity:323

Purity/Quality:

99%, ^*data from raw suppliers

2-Methoxycarbonylamino-1H-benzoimidazole-6-carboxylic acid 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)O

Technology Process of 2-Methoxycarbonylamino-3H-benzoimidazole-5-carboxylic acid

There total 3 articles about 2-Methoxycarbonylamino-3H-benzoimidazole-5-carboxylic acid 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: 60.0%

: 34840-23-8
1,3-Dicarbomethoxy-S-methylisothiourea

: 619-05-6
3,4-diaminobenzoic acid

: 65003-40-9
Methyl 5⁽⁶⁾-carboxybenzimidazole-2-carbamate

Guidance literature:: In ethanol; for 5h; Heating;

Reference yield:

: 1588-83-6
4-amino-3-nitrobenzoic acid

: 65003-40-9
Methyl 5⁽⁶⁾-carboxybenzimidazole-2-carbamate

Guidance literature:: Multi-step reaction with 2 steps

1: H₂ / 10percent Pd-C/ Raney nickel / methanol / 6 h / 2280 Torr

2: 60 percent / ethanol / 5 h / Heating

With hydrogen; palladium on activated charcoal; nickel; In methanol; ethanol;