1,3-Benzodioxole, 5-[(1R)-1-isocyanatobutyl]-

Base Information

Chemical Name:1,3-Benzodioxole, 5-[(1R)-1-isocyanatobutyl]-
CAS No.:181481-55-0
Molecular Formula:C12H13NO3
Molecular Weight:219.24
Hs Code.:
DSSTox Substance ID:DTXSID60436669
Nikkaji Number:J770.213B
Mol file:181481-55-0.mol

Synonyms:181481-55-0;1,3-Benzodioxole, 5-[(1R)-1-isocyanatobutyl]-;SCHEMBL7422109;DTXSID60436669;[(R)-1-(1,3-Benzodioxol-5-yl)butyl] isocyanate

Suppliers and Price of 1,3-Benzodioxole, 5-[(1R)-1-isocyanatobutyl]-

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 1,3-Benzodioxole, 5-[(1R)-1-isocyanatobutyl]-

Chemical Property:

XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:219.08954328
Heavy Atom Count:16
Complexity:275

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC(C1=CC2=C(C=C1)OCO2)N=C=O
Isomeric SMILES:CCC[C@H](C1=CC2=C(C=C1)OCO2)N=C=O

Technology Process of 1,3-Benzodioxole, 5-[(1R)-1-isocyanatobutyl]-

There total 1 articles about 1,3-Benzodioxole, 5-[(1R)-1-isocyanatobutyl]- 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:

: 63740-97-6
1-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)butan-1-one

: 181481-55-0
1-(2H-benzo[d]1,3-dioxolen-5-yl)-(R)-butyl isocyanate

Guidance literature:: Multi-step reaction with 4 steps

1: (S)-oxazaborolidine-borane complex

2: diphenylphosphoryl azide, DBU / toluene / 0-5 deg C -> room temperature 2-3 h, 16 h

3: LiAlH₄ / tetrahydrofuran; toluene / 8 h / 23 °C

4: 98 percent / HCl / toluene / 1.33 h / 100 °C

With hydrogenchloride; lithium aluminium tetrahydride; (S)-oxazaborolidine-borane; diphenylphosphoranyl azide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; toluene;
DOI:10.1021/jo960618k

Reference yield: 93.0%

: 181481-55-0
1-(2H-benzo[d]1,3-dioxolen-5-yl)-(R)-butyl isocyanate

: 181481-54-9
(4S)-3,3-diethyl-4-{4-[(4-methylpiperazinyl)-carbonyl]phenoxy}azetidin-2-one

: 157341-41-8
L-694,458

Guidance literature:: With lithium tert-butoxide; In hexane; toluene; at -10 ℃; Large scale;
DOI:10.1021/op015507o

Reference yield:

: 181481-55-0
1-(2H-benzo[d]1,3-dioxolen-5-yl)-(R)-butyl isocyanate

: 1,3-Bis-((R)-1-benzo[1,3]dioxol-5-yl-butyl)-urea

: 157341-41-8
L-694,458

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; (4S)-3,3-diethyl-4-{4-[(4-methylpiperazinyl)-carbonyl]phenoxy}azetidin-2-one; In various solvent(s);
DOI:10.1021/jo960618k