Methyl 3-[(2-bromoacetyl)amino]thiophene-2-carboxylate

Base Information

• Chemical Name: Methyl 3-[(2-bromoacetyl)amino]thiophene-2-carboxylate
• CAS No.: 227958-47-6
• Molecular Formula: C8H8 Br N O3 S
• Molecular Weight: 278.126
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00371626
• Wikidata: Q82159020
• Mol file: 227958-47-6.mol

Synonyms:227958-47-6;methyl 3-[(2-bromoacetyl)amino]thiophene-2-carboxylate;methyl 3-(2-bromoacetamido)thiophene-2-carboxylate;2-Thiophenecarboxylicacid, 3-[(2-bromoacetyl)amino]-, methyl ester;Methyl 3-[(2-bromoacetyl)amino]thiophene-2-carboxylate, tech;SCHEMBL4749588;Methyl 3-[(2-bromoacetyl)amino]-thiophene-2-carboxylate;DTXSID00371626;CJA95847;MFCD00120670;AKOS009157768;FT-0628520;A816354;methyl3-(2-bromoacetamido)thiophene-2-carboxylate;Methyl3-[(2-bromoacetyl)amino]thiophene-2-carboxylate;methyl 3-(2-bromanylethanoylamino)thiophene-2-carboxylate;3-[(2-bromo-1-oxoethyl)amino]-2-thiophenecarboxylic acid methyl ester

Chemical Property of Methyl 3-[(2-bromoacetyl)amino]thiophene-2-carboxylate

Chemical Property:

• Vapor Pressure: 5.18E-08mmHg at 25°C
• Melting Point: 91 °C
• Refractive Index: 1.635
• Boiling Point: 442.1°Cat760mmHg
• Flash Point: 221.1°C
• PSA: 83.64000
• Density: 1.705g/cm³
• LogP: 1.94110
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 276.94083
• Heavy Atom Count: 14
• Complexity: 237

Purity/Quality:

98%min ^*data from raw suppliers

Methyl 3-[(2-bromoacetyl)amino]-thiophene-2-carboxylate 85% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=CS1)NC(=O)CBr

Technology Process of Methyl 3-[(2-bromoacetyl)amino]thiophene-2-carboxylate

There total 1 articles about Methyl 3-[(2-bromoacetyl)amino]thiophene-2-carboxylate 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 3-aminothiophene-2-carboxylate (22288-78-4) + 2-Bromoacetyl bromide (598-21-0) → 3-(2-bromoacetylamino)thiophene-2-carboxylic acid methyl ester (227958-47-6)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃;

DOI:10.1016/j.bmcl.2013.07.018

Reference yield: 91.0%

3-(2-bromoacetylamino)thiophene-2-carboxylic acid methyl ester (227958-47-6) + thiophenol (108-98-5) → 3-[2-(phenylthio)acetylamino]thiophene-2-carboxylic acid methyl ester (830340-37-9)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.bmcl.2013.07.018

Reference yield: 42.0%

3-(2-bromoacetylamino)thiophene-2-carboxylic acid methyl ester (227958-47-6) + N-methylaniline (100-61-8) → 3-[2-(methylphenylamino)acetylamino]thiophene-2-carboxylic acid methyl ester (1010351-46-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.bmcl.2013.07.018

upstream raw materials:

Methyl 3-aminothiophene-2-carboxylate

2-Bromoacetyl bromide

Downstream raw materials:

3-[2-(4-bromophenylsulfanyl)acetylamino]thiophene-2-carboxylic acid dimethylamide

3-[2-(phenylthio)acetylamino]thiophene-2-carboxylic acid methyl ester

C₁₄H₁₂BrNO₃S₂

3-[2-(methylphenylamino)acetylamino]thiophene-2-carboxylic acid methyl ester

Refernces