2-Amino-3-chloro-5-methylbenzoic acid

Base Information

• Chemical Name: 2-Amino-3-chloro-5-methylbenzoic acid
• CAS No.: 66490-53-7
• Molecular Formula: C₈H₈ClNO₂
• Molecular Weight: 185.61
• European Community (EC) Number: 868-181-6
• Mol file: 66490-53-7.mol

Synonyms:2-amino-3-chloro-5-methylbenzoic acid;66490-53-7;SCHEMBL221230;MFCD11193638;TD1011;2-amino-3-chloro-5-methylbenzoicacid;AKOS009259853;EN300-79026;A905304;Z362758754

Chemical Property of 2-Amino-3-chloro-5-methylbenzoic acid

Chemical Property:

• Boiling Point: 327.2±42.0 °C(Predicted)
• PKA: 4?+-.0.10(Predicted)
• Density: 1.401±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 185.0243562
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

2-amino-3-chloro-5-methylbenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)Cl)N)C(=O)O

Technology Process of 2-Amino-3-chloro-5-methylbenzoic acid

There total 3 articles about 2-Amino-3-chloro-5-methylbenzoic 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: 75.0%

7-chloro-5-methylisatin (155184-80-8) → 2-amino-3-chloro-5-methylbenzoic acid (66490-53-7)

Guidance literature:

With dihydrogen peroxide;

Reference yield:

2-chloro-4-methyl-α-isonitrosoacetanilide (6579-45-9) → 2-amino-3-chloro-5-methylbenzoic acid (66490-53-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / H₂SO₄

2: 75 percent / H₂O₂

With sulfuric acid; dihydrogen peroxide;

Reference yield:

→ 2-amino-3-chloro-5-methylbenzoic acid (66490-53-7)

Guidance literature:

/BRN= 3256734/;

DOI:10.1021/jo01135a015

upstream raw materials:

7-chloro-5-methylisatin

2-chloro-4-methyl-α-isonitrosoacetanilide

Downstream raw materials:

8-chloro-6-methyl-3H-quinazolin-4-one

C₁₈H₁₂Cl₂N₂O₃

C₁₈H₁₂ClFN₂O₃

Refernces