1,3-Benzenedicarboxylic acid, mono(phenylmethyl) ester

Base Information

Chemical Name:1,3-Benzenedicarboxylic acid, mono(phenylmethyl) ester
CAS No.:113266-88-9
Molecular Formula:C15H12O4
Molecular Weight:256.258
Hs Code.:
DSSTox Substance ID:DTXSID80593602
Wikidata:Q82488106
Mol file:113266-88-9.mol

Synonyms:1,3-Benzenedicarboxylic acid, mono(phenylmethyl) ester;113266-88-9;3-phenylmethoxycarbonylbenzoate;monobenzyl isophthalate;3-[(Benzyloxy)carbonyl]benzoate;DTXSID80593602;AJGDGCHSUWBVKE-UHFFFAOYSA-M

Suppliers and Price of 1,3-Benzenedicarboxylic acid, mono(phenylmethyl) ester

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
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price

Total 1 raw suppliers

Chemical Property of 1,3-Benzenedicarboxylic acid, mono(phenylmethyl) ester

Chemical Property:

PSA：66.43000
LogP:1.40710
XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:255.06573383
Heavy Atom Count:19
Complexity:315

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)COC(=O)C2=CC=CC(=C2)C(=O)[O-]

Technology Process of 1,3-Benzenedicarboxylic acid, mono(phenylmethyl) ester

There total 2 articles about 1,3-Benzenedicarboxylic acid, mono(phenylmethyl) ester 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: 75.0%

: 16034-14-3
isophthalic Acid dibenzyl ester

: 113266-88-9
iso-phthalic acid monobenzyl ester

Guidance literature:

Reference yield: 49.0%

: 121-91-5
isophthalic acid

: 100-39-0
benzyl bromide

: 113266-88-9
iso-phthalic acid monobenzyl ester

Guidance literature:: isophthalic acid; With triethylamine; In methanol; water;

benzyl bromide; In N,N-dimethyl-formamide; at 100 ℃; for 2h; Further stages.;
DOI:10.1021/jm000145g

Reference yield: 98.0%

: 113266-88-9
iso-phthalic acid monobenzyl ester

: 87530-14-1
N-(3-aminopropyl)-N-(3-tert-butyloxycarbonyl-aminopropyl)-N-methylamine

: 1158186-78-7
BocHN-(+)-^BnOIPA

Guidance literature:: With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 23 ℃; for 3h;