5,6-Dimethoxyisoindoline

Base Information

Chemical Name:5,6-Dimethoxyisoindoline
CAS No.:114041-16-6
Molecular Formula:C10H13 N O2
Molecular Weight:179.22
Hs Code.:2933990090
DSSTox Substance ID:DTXSID80602167
Wikidata:Q82499124
Mol file:114041-16-6.mol

Synonyms:5,6-Dimethoxyisoindoline;114041-16-6;5,6-DIMETHOXY-2,3-DIHYDRO-1H-ISOINDOLE;1H-Isoindole, 2,3-dihydro-5,6-dimethoxy-;SCHEMBL1705264;DTXSID80602167;WMIINIMCTOCKNL-UHFFFAOYSA-N;AKOS000365114;MB05818;AM807277;AS-64366;DB-060577;CS-0101431;EN300-1602353;A849129;J-516543

Suppliers and Price of 5,6-Dimethoxyisoindoline

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

Crysdot
5,6-Dimethoxyisoindoline 95+%
1g
$ 880.00

Chemenu
5,6-dimethoxyisoindoline 95%
1g
$ 823.00

Biosynth Carbosynth
5,6-Dimethoxyisoindoline
500 mg
$ 400.00

Biosynth Carbosynth
5,6-Dimethoxyisoindoline
250 mg
$ 300.00

Biosynth Carbosynth
5,6-Dimethoxyisoindoline
100 mg
$ 200.00

Biosynth Carbosynth
5,6-Dimethoxyisoindoline
2 g
$ 1000.00

Biosynth Carbosynth
5,6-Dimethoxyisoindoline
1 g
$ 700.00

American Custom Chemicals Corporation
5,6-DIMETHOXYISOINDOLINE 95.00%
5MG
$ 499.39

Alichem
5,6-Dimethoxyisoindoline
1g
$ 924.00

Total 22 raw suppliers

Chemical Property of 5,6-Dimethoxyisoindoline

Chemical Property:

Boiling Point:287.3±40.0 °C(Predicted)
PKA:8.34±0.20(Predicted)
PSA：30.49000
Density:1.102±0.06 g/cm3(Predicted)
LogP:1.63580
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:179.094628657
Heavy Atom Count:13
Complexity:156

Purity/Quality:

97% ^*data from raw suppliers

5,6-Dimethoxyisoindoline 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C2CNCC2=C1)OC

Technology Process of 5,6-Dimethoxyisoindoline

There total 5 articles about 5,6-Dimethoxyisoindoline 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: 77.3%

: 114041-14-4
2,3-Dihydro-5,6-dimethoxy-2-(phenylmethyl)-1H-isoindole

: 60-29-7,927820-24-4
diethyl ether

: 114041-16-6
5,6-dimethoxyisoindoline

Guidance literature:: palladium-carbon; In methanol; ethyl acetate;

Reference yield: 69.0%

: 1427927-32-9
C₂₉H₂₇NO₂

: 114041-16-6
5,6-dimethoxyisoindoline

Guidance literature:: With trifluoroacetic acid; In methanol; chloroform; at 0 - 20 ℃; for 1h;
DOI:10.1021/acs.jmedchem.5b01378

Reference yield:

: 91-16-7
1,2-dimethoxybenzene

: 114041-16-6
5,6-dimethoxyisoindoline

Guidance literature:: Multi-step reaction with 3 steps

1.1: acetic acid; hydrogen bromide / 21 h / 20 - 65 °C

2.1: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 2 h / 60 °C

3.1: trifluoroacetic acid / chloroform; methanol / 0 - 20 °C

3.3: pH Ca_. 10

With hydrogen bromide; acetic acid; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In methanol; chloroform; N,N-dimethyl-formamide;