tert-Butyl allylcarbamate

Base Information

• Chemical Name: tert-Butyl allylcarbamate
• CAS No.: 78888-18-3
• Molecular Formula: C8H15 N O2
• Molecular Weight: 157.213
• Hs Code.: 29241990
• European Community (EC) Number: 693-046-1
• DSSTox Substance ID: DTXSID30945490
• Nikkaji Number: J324.064I
• Wikidata: Q70000017
• Mol file: 78888-18-3.mol

Synonyms:tert-Butyl allylcarbamate;78888-18-3;tert-Butyl N-allylcarbamate;Tert-butyl N-prop-2-enylcarbamate;N-Boc-allylamine;tert-butyl N-(prop-2-en-1-yl)carbamate;t-butyl N-allylcarbamate;Carbamic acid, 2-propenyl-, 1,1-dimethylethyl ester;MFCD00191870;tert-Butylallylcarbamate;N-Allyl-t-butylcarbamate;allyl(tert-butyl)carbamate;22815-62-9;SCHEMBL262291;N-tertbutoxycarbonyl allyl amine;DTXSID30945490;N-(tert-Butoxycarbonyl)allylamine;N-tert-butoxycarbonyl allyl amine;AWARHXCROCWEAK-UHFFFAOYSA-N;3-t-Butoxycarbonylamino-1-propene;tert-Butyl N-allylcarbamate, 98%;allyl carbamic acid tert-butyl ester;allyl-carbamic acid tert-butyl ester;3-(t-butoxycarbonylamino)-1-propene;AKOS005255351;N-Allylcarbamic Acid tert-Butyl Ester;CS-W007444;GS-3542;n-tert-butoxycarbonylprop-2-en-1-amine;AM804359;B3618;FT-0678101;EN300-98377;PK04_181038;tert-Butyl hydrogen prop-2-en-1-ylcarbonimidate;2-propenyl-carbamic acid 1,1-dimethylethyl ester

Chemical Property of tert-Butyl allylcarbamate

Chemical Property:

• Vapor Pressure: 0.128mmHg at 25°C
• Melting Point: 36-38 °C(lit.)
• Refractive Index: 1.438
• Boiling Point: 48-50°C/0.3mm
• PKA: 12.60±0.46(Predicted)
• Flash Point: 175 °F
• PSA: 38.33000
• Density: 0.938 g/mL at 25oC(lit.)
• LogP: 2.08800
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Insoluble in water. Soluble in methanol.
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 157.110278721
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

97% ^*data from raw suppliers

tert-ButylAllylcarbamate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22-36/37/38
• Safety Statements: 22-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCC=C
• Uses: tert-Butyl N-allylcarbamate is used in the synthesis of isoxazolidines. Synthesis of 5-substituted thiazolidin-2-ones is from the reaction of xanthates and tert-butyl N-allylcarbamates .

Technology Process of tert-Butyl allylcarbamate

There total 2 articles about tert-Butyl allylcarbamate 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:

dichloromethane (75-09-2) + 1-amino-2-propene (107-11-9,30551-89-4) → N-(tert-butyloxycarbonyl) azide (1070-19-5) + N-tert-butoxycarbonylprop-2-en-1-amine (78888-18-3)

Guidance literature:

With triethylamine;

Reference yield:

→ N-(tert-butyloxycarbonyl) azide (1070-19-5) + N-tert-butoxycarbonylprop-2-en-1-amine (78888-18-3)

Guidance literature:

Reference yield: 93.0%

o-iodo-methyl-benzoic acid (610-97-9) + N-tert-butoxycarbonylprop-2-en-1-amine (78888-18-3) → methyl 2-(3-(tert-butoxycarbonylamino)propyl)benzoate (1245815-06-8)

Guidance literature:

N-tert-butoxycarbonylprop-2-en-1-amine; With 9-borabicyclo[3.3.1]nonane; In tetrahydrofuran; for 2h; Inert atmosphere;

o-iodo-methyl-benzoic acid; With caesium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In tetrahydrofuran; at 20 ℃;

upstream raw materials:

dichloromethane

1-amino-2-propene

Downstream raw materials:

1-[(tert-butoxycarbonyl)amino]prop-1-ene

(1-Methoxy-propyl)-carbamic acid tert-butyl ester

(3-Benzyloxy-4,5-dihydro-isoxazol-5-ylmethyl)-carbamic acid tert-butyl ester

(3aS,6aR)-5-Benzenesulfonyl-hexahydro-cyclopenta[c]pyrrole-2,5-dicarboxylic acid 2-tert-butyl ester 5-methyl ester