tert-Butyl N,N-diallylcarbamate

Base Information

• Chemical Name: tert-Butyl N,N-diallylcarbamate
• CAS No.: 151259-38-0
• Molecular Formula: C11H19NO2
• Molecular Weight: 197.277
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID10408412
• Nikkaji Number: J940.116D
• Wikidata: Q82213886
• Mol file: 151259-38-0.mol

Synonyms:151259-38-0;tert-Butyl N,N-diallylcarbamate;tert-Butyl diallylcarbamate;N-Boc-Diallylamine;tert-butyl N,N-bis(prop-2-enyl)carbamate;TERT-BUTYLN,N-DIALLYLCARBAMATE;Carbamic acid, N,N-di-2-propen-1-yl-, 1,1-dimethylethyl ester;Diallyl-carbamic acid tert-butyl ester;tert-Butyldiallylcarbamate;SCHEMBL956549;N-tert-Butoxycarbonyldiallylamine;DTXSID10408412;RRIPHUBKNVVTBM-UHFFFAOYSA-N;BGA25938;MFCD01321306;AKOS009158005;tert-Butyl N,N-diallylcarbamate, 98%;tert-butyl di(prop-2-en-1-yl)carbamate;AS-37019;CS-0130879;FT-0714279;tert-butyl N,N-bis(prop-2-en-1-yl)carbamate;EN300-6272108;A809149;J-008793;J-524844;N,N-bis(prop-2-enyl)carbamic acid tert-butyl ester

Chemical Property of tert-Butyl N,N-diallylcarbamate

Chemical Property:

• Vapor Pressure: 0.0334mmHg at 25°C
• Refractive Index: 1.461
• Boiling Point: 242.7 °C at 760 mmHg
• PKA: -1.46±0.70(Predicted)
• Flash Point: 100.6 °C
• PSA: 29.54000
• Density: 0.934 g/cm³
• LogP: 2.59550
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 197.141578849
• Heavy Atom Count: 14
• Complexity: 206

Purity/Quality:

99% ^*data from raw suppliers

TERT-BUTYL N,N-DIALLYLCARBAMATE 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N(CC=C)CC=C
• Uses: tert-Butyl N,N-diallylcarbamate may be used in the synthesis of heterocyclic compounds.

Technology Process of tert-Butyl N,N-diallylcarbamate

There total 2 articles about tert-Butyl N,N-diallylcarbamate 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: 99.0%

di-tert-butyl dicarbonate (24424-99-5) + diallylamine (124-02-7) → tert-butyl diallylcarbamate (151259-38-0)

Guidance literature:

In methanol; at 0 - 20 ℃; for 1h;

Reference yield: 83.0%

tert-butyldicarbonate (34619-03-9) + diallylamine (124-02-7) → tert-butyl diallylcarbamate (151259-38-0)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/ol5018257

Reference yield: 99.0%

tert-butyl diallylcarbamate (151259-38-0) → N-(tert-butoxycarbonyl)-3-pyrroline (73286-70-1)

Guidance literature:

With Hoveyda-Grubbs catalyst second generation; In toluene; at 50 ℃; for 8h; Glove box;

DOI:10.1021/ol9029808

upstream raw materials:

di-tert-butyl dicarbonate

diallylamine

tert-butyldicarbonate

Downstream raw materials:

N-(tert-butoxycarbonyl)-3-pyrroline

C₅₇H₈₉N₃O₁₂Si₂

trans-tert-butyl 3-fluoro-4-hydroxypyrrolidine-1-carboxylate

1-tert-butoxycarbonyl-3,4-epoxypyrrolidine

Refernces

• 1、 Millet, Anthony,Baudoin, Olivier. "Palladium-catalyzed γ-selective arylation of zincated Boc-allylamines". supporting information. p. 3998 - 4000. Retrieved 2014/08/18.
• 2、 -. "COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF CANCER". Page/Page column 16. . Retrieved 2010/03/02.