Methyl 2-(4-amino-3-bromophenyl)acetate

Base Information

• Chemical Name: Methyl 2-(4-amino-3-bromophenyl)acetate
• CAS No.: 209809-20-1
• Molecular Formula: C9H10BrNO2
• Molecular Weight: 244.088
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID40573001
• Wikidata: Q82461553
• Mol file: 209809-20-1.mol

Synonyms:209809-20-1;Methyl 2-(4-amino-3-bromophenyl)acetate;Benzeneacetic acid, 4-amino-3-bromo-, methyl ester;Methyl 4-Amino-3-bromophenylacetate;methyl (4-amino-3-bromophenyl)acetate;SCHEMBL5156427;DTXSID40573001;QGUPVNRGRHPHAR-UHFFFAOYSA-N;AT20913;Methyl2-(4-amino-3-bromophenyl)acetate;CS-0361737

Chemical Property of Methyl 2-(4-amino-3-bromophenyl)acetate

Chemical Property:

• PSA: 52.32000
• LogP: 2.32800
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 242.98949
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

95% ^*data from raw suppliers

(4-Amino-3-bromo-phenyl)-aceticacidmethylester 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-(4-amino-3-bromophenyl)acetate

There total 7 articles about Methyl 2-(4-amino-3-bromophenyl)acetate 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: 69.0%

iron (7439-89-6) + methyl (3-bromo-4-nitrophenyl)acetate (185200-33-3) → 4-amino-3-bromophenylacetic acid methyl ester (209809-20-1)

Guidance literature:

With acetic acid; In methanol; water;

Reference yield: 69.0%

methyl (3-bromo-4-nitrophenyl)acetate (185200-33-3) → 4-amino-3-bromophenylacetic acid methyl ester (209809-20-1)

Guidance literature:

With sodium acetate; iron; acetic acid; In methanol; water; at 110 ℃; for 1h;

DOI:10.1016/j.bmc.2006.12.006

Reference yield:

2-(4-amino-3-bromophenyl)acetic acid (66955-75-7) + diazomethyl-trimethyl-silane (18107-18-1) → 4-amino-3-bromophenylacetic acid methyl ester (209809-20-1)

Guidance literature:

In methanol; diethyl ether; dichloromethane; at -5 ℃; for 0.5h;

upstream raw materials:

methyl (3-bromo-4-nitrophenyl)acetate

3-Bromophenylacetic acid

methyl 2-(3-bromophenyl)acetatee

iron

Downstream raw materials:

methyl 3-bromo-4-[N'-(2-chlorophenyl)ureido] phenylacetate

methyl 3-bromo-4-[N'-(2-bromophenyl)ureido] phenylacetate

methyl 3-bromo-4-[N'-(2-methylphenyl)ureido] phenylacetate

5-indoleacetic acid