2-(3-Chloro-2-hydroxypropyl)isoindoline-1,3-dione

Base Information Edit

Chemical Name:2-(3-Chloro-2-hydroxypropyl)isoindoline-1,3-dione
CAS No.:19667-37-9
Molecular Formula:C₁₁H₁₀ClNO₃
Molecular Weight:239.658
Hs Code.:
European Community (EC) Number:654-931-8
NSC Number:95431
DSSTox Substance ID:DTXSID60294241
Nikkaji Number:J26.864J
Mol file:19667-37-9.mol

Synonyms:19667-37-9;2-(3-chloro-2-hydroxypropyl)isoindoline-1,3-dione;2-(3-chloro-2-hydroxypropyl)-1H-isoindole-1,3(2H)-dione;2-(3-chloro-2-hydroxypropyl)isoindole-1,3-dione;1-chloro-3-phthalimido-2-propanol;2-(3-chloro-2-hydroxypropyl)-2,3-dihydro-1H-isoindole-1,3-dione;NSC95431;SCHEMBL690001;2-(3-Chloro-2-hydroxypropyl)-2H-isoindole-1,3-dione;2-(3-chloro-2-hydroxypropyl)benzo[c]azoline-1,3-dione;DTXSID60294241;KBRVYEPWGIQEOF-UHFFFAOYSA-N;MFCD00086198;NSC-95431;STK776267;AKOS000278151;AKOS016037639;SB65674;SB65727;AS-68825;N-(3-chloro-2-hydroxypropyl)-phthal-imide;CS-0306157;EN300-227057;W18295;N-(3-CHLORO-2-HYDROXYPROPYL)-PHTHALIMIDE

Suppliers and Price of 2-(3-Chloro-2-hydroxypropyl)isoindoline-1,3-dione

Supply Marketing:Edit

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

Sigma-Aldrich
N-(3-CHLORO-2-HYDROXYPROPYL)-PHTHALIMIDE AldrichCPR
50mg
$ 144.00

Total 10 raw suppliers

Chemical Property of 2-(3-Chloro-2-hydroxypropyl)isoindoline-1,3-dione Edit

Chemical Property:

Vapor Pressure:2.68E-07mmHg at 25°C
Boiling Point:405.4°Cat760mmHg
Flash Point:199°C
PSA：57.61000
Density:1.444g/cm³
LogP:0.82020
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:239.0349209
Heavy Atom Count:16
Complexity:284

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-(3-CHLORO-2-HYDROXYPROPYL)-PHTHALIMIDE AldrichCPR ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=O)N(C2=O)CC(CCl)O
Uses 2-(3-Chloro-2-hydroxypropyl)-1H-isoindole-1,3(2H)-dione has been used in yeast biosynthesis of (S)-adrenergic β-blockers by stereoselective reduction of haloketones. It has also been used in a validated LC-?MS?/MS method for the determination of three genotoxic impurities in rivaroxaban drug substance.

Technology Process of 2-(3-Chloro-2-hydroxypropyl)isoindoline-1,3-dione

There total 4 articles about 2-(3-Chloro-2-hydroxypropyl)isoindoline-1,3-dione 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: 86.0%

: 136918-14-4,85-41-6
phthalimide

: 106-89-8,24969-06-0,13403-37-7
epichlorohydrin

: 5455-98-1
2-oxiranylmethylisoindole-1,3-dione

: 19667-37-9,34839-11-7,148857-42-5,148857-44-7
2-(3-chloro-2-hydroxypropyl)-1H-isoindole-1,3(2H)-dione

Guidance literature:: With potassium fluoride on basic alumina; In 2-methyltetrahydrofuran; for 3h; chemoselective reaction; Inert atmosphere; Reflux;
DOI:10.1039/c0gc00113a

Reference yield: 21.0%

: 5455-98-1
2-oxiranylmethylisoindole-1,3-dione

: 104-88-1
4-chlorobenzaldehyde

: 19667-37-9,34839-11-7,148857-42-5,148857-44-7
2-(3-chloro-2-hydroxypropyl)-1H-isoindole-1,3(2H)-dione

: 6378-66-1
2-chloro-1-(4-chlorophenyl)ethanol

Guidance literature:: 2-oxiranylmethylisoindole-1,3-dione; 4-chlorobenzaldehyde; With Chloroiodomethane; In 2-methyltetrahydrofuran; at -78 ℃; for 0.0333333h;

With methyllithium; In 2-methyltetrahydrofuran; diethyl ether; at -78 ℃; for 1h;
DOI:10.1039/d0ob02407d