Methyl 4'-amino-[1,1'-biphenyl]-3-carboxylate

Base Information

• Chemical Name: Methyl 4'-amino-[1,1'-biphenyl]-3-carboxylate
• CAS No.: 400747-22-0
• Molecular Formula: C14H13 N O2
• Molecular Weight: 227.263
• Hs Code.: 2922499990
• European Community (EC) Number: 696-361-2
• DSSTox Substance ID: DTXSID20362672
• Wikidata: Q82145971
• Mol file: 400747-22-0.mol

Synonyms:400747-22-0;Methyl 4'-amino-[1,1'-biphenyl]-3-carboxylate;methyl 4'-aminobiphenyl-3-carboxylate;methyl 3-(4-aminophenyl)benzoate;4'-Aminobiphenyl-3-carboxylic acid methyl ester;methyl 4'-amino[1,1'-biphenyl]-3-carboxylate;4'-amino-biphenyl-3-carboxylic acid methyl ester;methyl 4'-amino(1,1'-biphenyl)-3-carboxylate;SCHEMBL1660752;DTXSID20362672;MFCD04039111;AKOS004113777;MB03141;BS-28034;BB 0222490;CS-0212542;Methyl4'-amino-[1,1'-biphenyl]-3-carboxylate;A873481;1,2-[BIS(DIPHENYLPHOSPHINO)ETHANE]COBALTDICHLORIDE

Chemical Property of Methyl 4'-amino-[1,1'-biphenyl]-3-carboxylate

Chemical Property:

• Boiling Point: 393.5°Cat760mmHg
• Flash Point: 228.4°C
• PSA: 52.32000
• Density: 1.166g/cm³
• LogP: 3.30360
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 227.094628657
• Heavy Atom Count: 17
• Complexity: 259

Purity/Quality:

97% ^*data from raw suppliers

Methyl4''-aminobiphenyl-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)N
• Uses: Methyl 4''-aminobiphenyl-3-carboxylate

Technology Process of Methyl 4'-amino-[1,1'-biphenyl]-3-carboxylate

There total 6 articles about Methyl 4'-amino-[1,1'-biphenyl]-3-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: 100.0%

methyl 4'-nitro-[1,1'-biphenyl]-3-carboxylate (107558-26-9) → methyl 4' amino-[1,1'-biphenyl]-3-carboxylate (400747-22-0)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethyl acetate; for 4h; under 1551.49 Torr;

Reference yield: 96.0%

[3-(methoxycarbonyl)phenyl]boronic acid (99769-19-4) + 4-bromo-aniline (106-40-1) → methyl 4' amino-[1,1'-biphenyl]-3-carboxylate (400747-22-0)

Guidance literature:

With tetrabutylammomium bromide; C₃₂H₂₆Cl₂N₈O₄Pd₂; potassium carbonate; In methanol; water; at 100 ℃; for 0.166667h; Reagent/catalyst; Temperature; Schlenk technique;

DOI:10.1021/acs.inorgchem.0c01035

Reference yield: 49.0%

4-bromo-aniline (106-40-1) → methyl 4' amino-[1,1'-biphenyl]-3-carboxylate (400747-22-0)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium carbonate; In 1,4-dioxane; water; at 90 ℃; Inert atmosphere;

DOI:10.1021/acs.jmedchem.0c00512

upstream raw materials:

methyl 4'-nitro-[1,1'-biphenyl]-3-carboxylate

4'-nitrobiphenyl-3-carboxylic acid

3-Carboxyphenylboronic acid

para-nitrophenyl bromide

Downstream raw materials:

4′-(α-D-mannopyranosylamino)-[1,1′biphenyl]-3-carboxylic acid methyl ester

4′-[(α-D-mannopyranosylcarbonyl)amino]-[1,1′-biphenyl]-3-carboxylic acid methyl ester

methyl 4'-(2-naphthamido)biphenyl-3-carboxylate

methyl 4'-(naphthalene-2-sulfonamido)biphenyl-3-carboxylate