6-Methoxy-1H-benzotriazole-5-carboxylic acid

Base Information

• Chemical Name: 6-Methoxy-1H-benzotriazole-5-carboxylic acid
• CAS No.: 59338-92-0
• Molecular Formula: C8H7 N3 O3
• Molecular Weight: 193.162
• European Community (EC) Number: 261-709-0
• DSSTox Substance ID: DTXSID80208087
• Nikkaji Number: J308.667D
• Mol file: 59338-92-0.mol

Synonyms:59338-92-0;6-Methoxy-1H-benzotriazole-5-carboxylic acid;6-methoxy-1H-1,2,3-benzotriazole-5-carboxylic acid;6-methoxy-2H-benzotriazole-5-carboxylic acid;6-Methoxy-1H-benzo[d][1,2,3]triazole-5-carboxylic acid;SCHEMBL7814200;SCHEMBL22999902;INTERMEDIATE OF ALIZAPRIDE;DTXSID80208087;MFCD28053730;EN300-65055;6-Methoxy-1,2,3-benzotriazole-5-carboxylic acid;6-Methoxy-1H-benzo[d][1,2,3]triazole-5-carboxylicacid;Z1007290996

Chemical Property of 6-Methoxy-1H-benzotriazole-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 3.21E-09mmHg at 25°C
• Boiling Point: 459°C at 760 mmHg
• PKA: 3.41±0.30(Predicted)
• Flash Point: 231.4°C
• PSA: 88.10000
• Density: 1.547g/cm³
• LogP: 0.66470
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 193.04874109
• Heavy Atom Count: 14
• Complexity: 236

Purity/Quality:

97% ^*data from raw suppliers

6-Methoxy-1H-benzotriazole-5-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=NNN=C2C=C1C(=O)O

Technology Process of 6-Methoxy-1H-benzotriazole-5-carboxylic acid

There total 6 articles about 6-Methoxy-1H-benzotriazole-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:

methyl 4-acetamido-2-methoxy-5-nitrobenzoate (4093-41-8) → 6-methoxy-1H-benzotriazole-5-carboxylic acid (59338-92-0)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂ / Pd/C

2: NaNO₂, aq. HCl

3: aq. NaOH

With hydrogenchloride; sodium hydroxide; hydrogen; sodium nitrite; palladium on activated charcoal;

DOI:10.1016/S0960-894X(98)00341-2

Reference yield:

methyl 4-(acetylamino)-o-anisate (4093-29-2) → 6-methoxy-1H-benzotriazole-5-carboxylic acid (59338-92-0)

Guidance literature:

Multi-step reaction with 4 steps

1: HNO₃

2: H₂ / Pd/C

3: NaNO₂, aq. HCl

4: aq. NaOH

With hydrogenchloride; sodium hydroxide; hydrogen; nitric acid; sodium nitrite; palladium on activated charcoal;

DOI:10.1016/S0960-894X(98)00341-2

Reference yield:

1-Acetyl-6-methoxy-1H-benzotriazole-5-carboxylic acid methyl ester (59338-89-5) → 6-methoxy-1H-benzotriazole-5-carboxylic acid (59338-92-0)

Guidance literature:

With sodium hydroxide;

DOI:10.1016/S0960-894X(98)00341-2

upstream raw materials:

alizapride

1-Acetyl-6-methoxy-1H-benzotriazole-5-carboxylic acid methyl ester

methyl 4-acetamido-2-methoxy-5-nitrobenzoate

methyl 4-(acetylamino)-o-anisate

Downstream raw materials:

6-methoxy-1H-benzotriazole-5-carboxylic acid methyl ester