Methyl 2-amino-4,5-dichlorobenzoate

Base Information

• Chemical Name: Methyl 2-amino-4,5-dichlorobenzoate
• CAS No.: 844647-17-2
• Molecular Formula: C8H7Cl2NO2
• Molecular Weight: 220.055
• European Community (EC) Number: 858-989-7
• ChEMBL ID: CHEMBL4899097
• Mol file: 844647-17-2.mol

Synonyms:Methyl 2-amino-4,5-dichlorobenzoate;844647-17-2;2-amino-4,5-dichloro-benzoic acid methyl ester;Benzoic acid, 2-amino-4,5-dichloro-, methyl ester;SCHEMBL1884944;CHEMBL4899097;GPQSHTPSMYICPA-UHFFFAOYSA-N;Methyl2-amino-4,5-dichlorobenzoate;CL9211;MFCD15523635;AKOS028113723;SB79916;AS-46243;FT-0707419;EN300-191710;Z1269133942

Chemical Property of Methyl 2-amino-4,5-dichlorobenzoate

Chemical Property:

• Melting Point: 119-121 °C(Solv: methanol (67-56-1))
• Boiling Point: 328.4±37.0 °C(Predicted)
• PKA: 0.90±0.10(Predicted)
• PSA: 52.32000
• Density: 1.433±0.06 g/cm3(Predicted)
• LogP: 2.94340
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 218.9853839
• Heavy Atom Count: 13
• Complexity: 201

Purity/Quality:

98% ^*data from raw suppliers

Methyl2-Amino-4,5-dichlorobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=C(C=C1N)Cl)Cl

Technology Process of Methyl 2-amino-4,5-dichlorobenzoate

There total 10 articles about Methyl 2-amino-4,5-dichlorobenzoate 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: 94.1%

2-amino-4,5-dichloro-benzoic acid (20776-61-8) + diazomethyl-trimethyl-silane (18107-18-1) → 2-amino-4,5-dichloro-benzoic acid methyl ester (844647-17-2)

Guidance literature:

In methanol; hexane; ethyl acetate; at 26 - 33 ℃; for 1.5h; Inert atmosphere;

Reference yield: 54.0%

C9H5Cl2N3O3 (844647-19-4) → 2-amino-4,5-dichloro-benzoic acid methyl ester (844647-17-2)

Guidance literature:

With water; In acetic acid; for 1h; Heating / reflux;

Reference yield: 50.0%

2-amino-4-chloro-benzoic acid methyl ester (5900-58-3) → 2-amino-4,5-dichloro-benzoic acid methyl ester (844647-17-2)

Guidance literature:

With thionyl chloride; In acetic acid; at 30 ℃; for 3h;

upstream raw materials:

methanol

6,7-dichloro-1,2-dihydro-3,1-benzoxazine-2,4-dione

4-chloroisatoic anhydride

C₉H₅Cl₂N₃O₃

Downstream raw materials:

2-(benzo[1,2,5]thiadiazole-4-sulfonylamino)-4,5-dichloro-benzoic acid methyl ester

2-(benzo[1,2,5]thiadiazole-4-sulfonylamino)-4,5-dichlorobenzoic acid

2-(benzo[1,2,5]thiadiazole-4-sulfonylamino)-4,5-dichlorobenzoyl chloride

2-amino-4,5-dichloro-benzoic acid

Refernces

• 1、 -. "ERBB/BTK INHIBITORS". Page/Page column 102; 60. . Retrieved 2019/08/26.
• 2、 Liu, Jing,Deng, Xiaohu,Fitzgerald, Anne E.,Sales, Zachary S.,Venkatesan, Hariharan,Mani, Neelakandha S.. "Protecting-group-free synthesis of a dual CCK1/CCK2 receptor antagonist". . p. 2654 - 2660. Retrieved 2011/05/08.