3,4-Methylenedioxyphenethyl isocyanate

Base Information

Chemical Name:3,4-Methylenedioxyphenethyl isocyanate
CAS No.:62334-09-2
Molecular Formula:C₁₀H₉NO₃
Molecular Weight:191.186
Hs Code.:2932999099
European Community (EC) Number:689-563-7
DSSTox Substance ID:DTXSID90403081

Synonyms:3,4-Methylenedioxyphenethyl isocyanate;62334-09-2;5-(2-isocyanatoethyl)-1,3-benzodioxole;5-(2-isocyanatoethyl)benzo[d][1,3]dioxole;5-(2-isocyanatoethyl)-2H-1,3-benzodioxole;SCHEMBL1856004;DTXSID90403081;PMNWWZBYKGUQPZ-UHFFFAOYSA-N;3 4-Methylenedioxyphenethyl isocyanate;AKOS015912908;5-(2-isocyanatoethyl)-1,3-dioxaindane;3,4-Methylenedioxyphenethyl isocyanate, 97%;EN300-272502

Suppliers and Price of 3,4-Methylenedioxyphenethyl isocyanate

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

TRC
5-(2-isocyanatoethyl)-2H-1,3-benzodioxole
100mg
$ 45.00

Sigma-Aldrich
3,4-Methylenedioxyphenethyl isocyanate 97%
5g
$ 488.00

American Custom Chemicals Corporation
3,4-METHYLENEDIOXY PHENETHYL ISOCYANATE 95.00%
5G
$ 1306.14

American Custom Chemicals Corporation
3,4-METHYLENEDIOXY PHENETHYL ISOCYANATE 95.00%
1G
$ 741.00

Total 3 raw suppliers

Chemical Property of 3,4-Methylenedioxyphenethyl isocyanate

Chemical Property:

Vapor Pressure:0.000951mmHg at 25°C
Refractive Index:n20/D 1.5430(lit.)
Boiling Point:286-287oC(lit.)
Flash Point:>230 °F
PSA：47.89000
Density:1.214 g/mL at 25oC(lit.)
LogP:1.29360
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:191.058243149
Heavy Atom Count:14
Complexity:238

Purity/Quality:

99% ^*data from raw suppliers

5-(2-isocyanatoethyl)-2H-1,3-benzodioxole ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 20/21/22-36/37/38-42
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1OC2=C(O1)C=C(C=C2)CCN=C=O

Technology Process of 3,4-Methylenedioxyphenethyl isocyanate

There total 5 articles about 3,4-Methylenedioxyphenethyl isocyanate 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: 91.0%

: 68996-81-6
3-benzo[1,3]dioxol-5-yl-propionyl chloride

: 62334-09-2
2-(3,4-methylenedioxyphenyl)-ethyl isocyanate

Guidance literature:: With trimethylsilylazide; In 1,3,5-trimethyl-benzene; for 40h; Heating;

Reference yield:

: 191847-31-1
(2-benzo[1,3]dioxol-5-yl-ethyl) carbaminic acid tert-butyl ester

: 62334-09-2
2-(3,4-methylenedioxyphenyl)-ethyl isocyanate

Guidance literature:: With 2-chloropyridine; trifluoromethylsulfonic anhydride; In dichloromethane; at -78 ℃; for 0.333333h; regioselective reaction; Inert atmosphere;
DOI:10.1002/ejoc.201201408

Reference yield:

: 2815-95-4
3-(1,3 benzodioxol-5-yl)propionic acid

: 62334-09-2
2-(3,4-methylenedioxyphenyl)-ethyl isocyanate

Guidance literature:: Multi-step reaction with 2 steps

1: 86 percent / thionyl chloride / 1 h / Heating

2: 91 percent / trimethylsilyl azide / 1,3,5-trimethyl-benzene / 40 h / Heating

With thionyl chloride; trimethylsilylazide; In 1,3,5-trimethyl-benzene;