Methyl 2-benzylisoindoline-4-carboxylate

Base Information

Chemical Name:Methyl 2-benzylisoindoline-4-carboxylate
CAS No.:127168-92-7
Molecular Formula:C17H17NO2
Molecular Weight:267.327
Hs Code.:2933990090
DSSTox Substance ID:DTXSID90600391
Wikidata:Q82496447
Mol file:127168-92-7.mol

Synonyms:METHYL 2-BENZYLISOINDOLINE-4-CARBOXYLATE;127168-92-7;methyl 2-benzyl-1,3-dihydroisoindole-4-carboxylate;Methyl2-benzylisoindoline-4-carboxylate;SCHEMBL6093402;DTXSID90600391;KYPYECPVZOQQQH-UHFFFAOYSA-N;2-benzyl-4-methoxycarbonylisoindoline;SB65810;DB-370728;J-521952;Methyl 2-benzyl-2,3-dihydro-1H-isoindole-4-carboxylate;2-benzyl-2,3-dihydro-1H-isoindole-4-carboxylic acid methyl ester

Suppliers and Price of Methyl 2-benzylisoindoline-4-carboxylate

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

Chemenu
methyl2-benzylisoindoline-4-carboxylate 95%
1g
$ 729.00

American Custom Chemicals Corporation
METHYL-2-BENZYLISOINDOLINE-4-CARBOXYLATE 95.00%
5MG
$ 501.75

Alichem
Methyl2-benzylisoindoline-4-carboxylate
1g
$ 684.52

Total 6 raw suppliers

Chemical Property of Methyl 2-benzylisoindoline-4-carboxylate

Chemical Property:

PSA：29.54000
LogP:2.92690
Storage Temp.:2-8°C
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:267.125928785
Heavy Atom Count:20
Complexity:338

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

methyl2-benzylisoindoline-4-carboxylate 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1=CC=CC2=C1CN(C2)CC3=CC=CC=C3

Technology Process of Methyl 2-benzylisoindoline-4-carboxylate

There total 5 articles about Methyl 2-benzylisoindoline-4-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: 57.0%

: 100-46-9
benzylamine

: 127168-91-6
methyl 2,3-bis(bromomethyl)benzoate

: 127168-92-7
methyl 2-benzylisoindoline-4-carboxylate

Guidance literature:: With sodium hydroxide; tetrabutyl-ammonium chloride; In water; at 20 ℃; for 18h;

Reference yield: 49.0%

: 15012-36-9
methyl 2,3-dimethylbenzoate

: 100-46-9
benzylamine

: 127168-92-7
methyl 2-benzylisoindoline-4-carboxylate

Guidance literature:: methyl 2,3-dimethylbenzoate; With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; at 95 ℃; for 4h; Inert atmosphere;

benzylamine; With benzyltriethylammonium bromide; sodium hydroxide; In toluene; at 20 ℃; Inert atmosphere;

Reference yield:

: 15012-36-9
methyl 2,3-dimethylbenzoate

: 127168-92-7
methyl 2-benzylisoindoline-4-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / tetrachloromethane / 16 h / 80 °C

2: triethylamine / tetrahydrofuran / 4 h / 0 - 20 °C

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); triethylamine; In tetrahydrofuran; tetrachloromethane;