3-Isochromanone

Base Information Edit

Chemical Name:3-Isochromanone
CAS No.:4385-35-7
Molecular Formula:C9H8O2
Molecular Weight:148.161
Hs Code.:2932999099
European Community (EC) Number:224-493-9
NSC Number:160530
UNII:4J87XDF6HE
DSSTox Substance ID:DTXSID00195960
Nikkaji Number:J13.284E
Wikidata:Q72445602
Metabolomics Workbench ID:67943
ChEMBL ID:CHEMBL447815
Mol file:4385-35-7.mol

Synonyms:3-Isochromanone;4385-35-7;isochroman-3-one;1,4-Dihydro-3H-2-benzopyran-3-one;1,4-dihydroisochromen-3-one;3H-2-Benzopyran-3-one, 1,4-dihydro-;3,4-dihydro-1H-2-benzopyran-3-one;3-lsochroManone;1H-2-Benzopyran-3(4H)-one;MFCD00043005;EINECS 224-493-9;NSC-160530;2-Hydroxymethylphenylacetic acid lactone;isochromanone, 4a;SBB068599;3-Isochromanone, 98%;bmse000539;4J87XDF6HE;SCHEMBL724064;CHEMBL447815;BDBM23985;ILHLUZUMRJQEAH-UHFFFAOYSA-;DTXSID00195960;1,4-Dihydro-3H-isochromen-3-one;BCP25778;1,4-dihydro-3H-isochromene-3-one;3,6-Dihydro-4,5-benzo-2-pyrone;3H-2-Benzopyran-3-one,4-dihydro-;NSC160530;1,4-Dihydro-3H-isochromen-3-one #;AKOS004907726;CS-W016337;GS-6820;NSC 160530;AM803908;SY036247;FT-0635258;I0544;C07728;EN300-103986;A826436;J-511161;Z1255486033

Suppliers and Price of 3-Isochromanone

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

TRC
3-Isochromanone
5g
$ 75.00

TCI Chemical
3-Isochromanone >99.0%(GC)
25g
$ 151.00

TCI Chemical
3-Isochromanone >99.0%(GC)
1g
$ 19.00

TCI Chemical
3-Isochromanone >99.0%(GC)
5g
$ 55.00

Sigma-Aldrich
3-Isochromanone 98%
1g
$ 38.00

Crysdot
3-Isochromanone 98%
500g
$ 180.00

ChemScene
3-Isochromanone 99.85%
1000g
$ 332.00

ChemScene
3-Isochromanone 99.85%
500g
$ 172.00

Chem-Impex
3-Isochromanone,≥99%(GC) ≥99%(GC)
5G
$ 53.15

Chem-Impex
3-Isochromanone,≥99%(GC) ≥99%(GC)
1G
$ 18.49

Total 112 raw suppliers

Chemical Property of 3-Isochromanone Edit

Chemical Property:

Appearance/Colour:WHITE CRYSTALLINE POWDER
Vapor Pressure:0.000144mmHg at 25°C
Melting Point:80-82 °C(lit.)
Refractive Index:1.562
Boiling Point:332.6 °C at 760 mmHg
Flash Point:137.7 °C
PSA：26.30000
Density:1.196 g/cm³
LogP:1.28590
Storage Temp.:Sealed in dry,Room Temperature
Solubility.:Chloroform (Slightly, Heated, Sonicated), Methanol (Slightly)
Water Solubility.:易溶于丙酮,甲醇,二氯乙烷等有机溶剂
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:148.052429494
Heavy Atom Count:11
Complexity:165

Purity/Quality:

99% ^*data from raw suppliers

3-Isochromanone ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-37/39

MSDS Files:

Useful:

Canonical SMILES:C1C2=CC=CC=C2COC1=O
Uses 3-Isochromanone may be used as starting reagent in the synthesis of of BDPBI (7-bromo-1,4-dihydro-2-phenyl-4,4-bis(4-pyridinylmethyl)2H-isoquinolin-3-one dihydrochloride).

Technology Process of 3-Isochromanone

There total 77 articles about 3-Isochromanone 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: 100.0%

: 201230-82-2
carbon monoxide

: 74785-02-7
(2-(bromomethyl)phenyl)methanol

: 4385-35-7
isochroman-3-one

Guidance literature:: With N-ethyl-N,N-diisopropylamine; C₅₂H₄₆O₂P₂Pd₂; triphenylphosphine; In toluene; at 60 ℃; for 2.16667h; under 760.051 Torr; Conversion of starting material;