(Z)-3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide

Base Information

Chemical Name:(Z)-3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide
CAS No.:207350-09-2
Molecular Formula:C21H23NO4S
Molecular Weight:385.4766
Hs Code.:
NSC Number:705330
ChEMBL ID:CHEMBL1721382

Synonyms:MLS002702474;NSC705330;207350-09-2;CHEMBL1721382;NSC-705330;PD011684;SMR001566035

Suppliers and Price of (Z)-3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide

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

Total 2 raw suppliers

Chemical Property of (Z)-3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide

Chemical Property:

Vapor Pressure:6.04E-15mmHg at 25°C
Boiling Point:612.6°Cat760mmHg
Flash Point:324.3°C
Density:1.29g/cm³
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:385.13477939
Heavy Atom Count:27
Complexity:565

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)N(CC1=CC2=C(C=C1)OCO2)C(=O)C=CS(=O)C3=CC=CC=C3
Isomeric SMILES:CC(C)(C)N(CC1=CC2=C(C=C1)OCO2)C(=O)/C=C\S(=O)C3=CC=CC=C3

Technology Process of (Z)-3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide

There total 3 articles about (Z)-3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide 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: 89.0%

: (Z)-N-Benzo[1,3]dioxol-5-ylmethyl-N-tert-butyl-3-phenylsulfanyl-acrylamide

: 207350-09-2
3-benzenesulfinyl-N-benzo[1,3]dioxol-5-ylmethyl-N-tert-butylacrylamide

Guidance literature:: With titanium(III) chloride; dihydrogen peroxide; In methanol; water; acetonitrile; for 0.166667h;
DOI:10.1021/jo972093h

Reference yield:

: 120-57-0,30024-74-9
piperonal

: 207350-09-2
3-benzenesulfinyl-N-benzo[1,3]dioxol-5-ylmethyl-N-tert-butylacrylamide

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) MgSO₄, 2.) sodium borohydride / 1.) CHCl₃, refluc 18 h, 2.) methanol, room temperature, 2 h

2: 85 percent / oxalyl chloride, DMF / benzene / 2 h / Ambient temperature

3: 89 percent / hydrogen peroxide, TiCl₃ / acetonitrile; methanol; H₂O / 0.17 h

With sodium tetrahydroborate; titanium(III) chloride; oxalyl dichloride; dihydrogen peroxide; magnesium sulfate; N,N-dimethyl-formamide; In methanol; water; acetonitrile; benzene;
DOI:10.1021/jo972093h

Reference yield:

: 207350-17-2
benzo[1,3]dioxol-5-ylmethyl-tert-butylamine

: 207350-09-2
3-benzenesulfinyl-N-benzo[1,3]dioxol-5-ylmethyl-N-tert-butylacrylamide

Guidance literature:: Multi-step reaction with 2 steps

1: 85 percent / oxalyl chloride, DMF / benzene / 2 h / Ambient temperature

2: 89 percent / hydrogen peroxide, TiCl₃ / acetonitrile; methanol; H₂O / 0.17 h

With titanium(III) chloride; oxalyl dichloride; dihydrogen peroxide; N,N-dimethyl-formamide; In methanol; water; acetonitrile; benzene;
DOI:10.1021/jo972093h