4-{[(Naphthalene-2-carbonyl)amino]methyl}benzoic acid

Base Information

Chemical Name:4-{[(Naphthalene-2-carbonyl)amino]methyl}benzoic acid
CAS No.:208175-66-0
Molecular Formula:C19H15NO3
Molecular Weight:305.333
Hs Code.:
ChEMBL ID:CHEMBL4104364
DSSTox Substance ID:DTXSID80589348
Wikidata:Q82482663

Synonyms:CHEMBL4104364;208175-66-0;4-{[(Naphthalene-2-carbonyl)amino]methyl}benzoic acid;SCHEMBL7322242;DTXSID80589348;BDBM50241120;AKOS015970880

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Supply Marketing:

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

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Chemical Property of 4-{[(Naphthalene-2-carbonyl)amino]methyl}benzoic acid

Chemical Property:

XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:305.10519334
Heavy Atom Count:23
Complexity:428

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C=C(C=CC2=C1)C(=O)NCC3=CC=C(C=C3)C(=O)O

Technology Process of 4-{[(Naphthalene-2-carbonyl)amino]methyl}benzoic acid

There total 7 articles about 4-{[(Naphthalene-2-carbonyl)amino]methyl}benzoic acid 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: 97.0%

: 471924-96-6
methyl 4-((naphthalene-2-carbonylamino)methyl)benzoate

: 208175-66-0
4-[(2-naphthoylamino)methyl]benzoic acid

Guidance literature:: With lithium hydroxide; In tetrahydrofuran; water; at 20 ℃;
DOI:10.1016/j.bmc.2004.06.020

Reference yield: 18.0%

: 56-91-7
p-aminomethylbenzoic acid

: 2243-83-6
2-naphthaloyl chloride

: 208175-66-0
4-[(2-naphthoylamino)methyl]benzoic acid

Guidance literature:: With pyridine; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 20h; Inert atmosphere;
DOI:10.1021/acs.jmedchem.7b00398

Reference yield:

: 56-91-7
p-aminomethylbenzoic acid

: 93-09-4
naphthalene-2-carboxylate

: 208175-66-0
4-[(2-naphthoylamino)methyl]benzoic acid

Guidance literature:: naphthalene-2-carboxylate; With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine; In acetonitrile; at 20 ℃; for 1h; Cooling with ice;

p-aminomethylbenzoic acid; With sodium hydroxide; In water; acetonitrile; for 6h;