Methyl 5-phenylnicotinate

Base Information

Chemical Name:Methyl 5-phenylnicotinate
CAS No.:10177-13-6
Molecular Formula:C13H11 N O2
Molecular Weight:213.236
Hs Code.:2933399990
European Community (EC) Number:815-008-7
DSSTox Substance ID:DTXSID50602513
Nikkaji Number:J3.568.386K
Wikidata:Q82499619
Mol file:10177-13-6.mol

Synonyms:methyl 5-phenylnicotinate;10177-13-6;methyl 5-phenylpyridine-3-carboxylate;3-Pyridinecarboxylic acid, 5-phenyl-, methyl ester;Methyl5-phenylnicotinate;SCHEMBL9008962;DTXSID50602513;WLZ3014;CJXJQNNSSJBPBF-UHFFFAOYSA-N;5-phenylnicotinic acid methyl ester;MFCD06802742;AKOS004118984;PS-11147;DB-265487;CS-0439939;F73311;5-phenyl-pyridine-3-carboxylic acid methyl ester;A800448

Suppliers and Price of Methyl 5-phenylnicotinate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

SynQuest Laboratories
Methyl 5-phenylnicotinate
1 g
$ 400.00

Chemenu
methyl5-phenylnicotinate 95%
1g
$ 311.00

Chemenu
methyl5-phenylnicotinate 95%
5g
$ 870.00

Apolloscientific
Methyl5-phenylnicotinate
1g
$ 363.00

American Custom Chemicals Corporation
METHYL-5-PHENYLNICOTINATE 95.00%
5MG
$ 502.17

Alichem
Methyl5-phenylnicotinate
1g
$ 314.16

Total 14 raw suppliers

Chemical Property of Methyl 5-phenylnicotinate

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Refractive Index:1.567
Boiling Point:356°Cat760mmHg
Flash Point:169.1°C
PSA：39.19000
Density:1.147g/cm³
LogP:2.53520
Storage Temp.:2-8°C
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:213.078978594
Heavy Atom Count:16
Complexity:236

Purity/Quality:

97% ^*data from raw suppliers

Methyl 5-phenylnicotinate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CN=CC(=C1)C2=CC=CC=C2

Technology Process of Methyl 5-phenylnicotinate

There total 9 articles about Methyl 5-phenylnicotinate 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: 98.0%

: 29681-44-5
5-bromo-3-pyridine carboxylic acid methyl ester

: 98-80-6
phenylboronic acid

: 10177-13-6
methyl 5-phenylpyridine-3-carboxylate

Guidance literature:: With triethylamine; palladium diacetate; triphenylphosphine; In N,N-dimethyl-formamide; at 100 ℃; for 3h;
DOI:10.1021/jo00200a045

Reference yield: 85.0%

: 29681-44-5
5-bromo-3-pyridine carboxylic acid methyl ester

: potassium phenyltrifluoborate

: 10177-13-6
methyl 5-phenylpyridine-3-carboxylate

Guidance literature:: With potassium phosphate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In tetrahydrofuran; N,N-dimethyl-formamide; at 70 ℃; for 6h;
DOI:10.1016/j.bmc.2008.01.050

Reference yield: 50.0%

: 36052-25-2
5-amino-nicotinic acid methyl ester

: 591-50-4
iodobenzene

: 73183-34-3
bis(pinacol)diborane

: 10177-13-6
methyl 5-phenylpyridine-3-carboxylate

Guidance literature:: 5-amino-nicotinic acid methyl ester; bis(pinacol)diborane; With tert.-butylnitrite; In acetonitrile; at 80 ℃; for 2h;

iodobenzene; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 12h; Inert atmosphere;
DOI:10.1021/jo3018878