Carbamic acid, (1-methyl-4-pentenyl)-, phenylmethyl ester

Base Information

• Chemical Name: Carbamic acid, (1-methyl-4-pentenyl)-, phenylmethyl ester
• CAS No.: 78329-35-8
• Molecular Formula: C14H19NO2
• Molecular Weight: 233.31
• DSSTox Substance ID: DTXSID20468683
• Mol file: 78329-35-8.mol

Synonyms:78329-35-8;Carbamic acid, (1-methyl-4-pentenyl)-, phenylmethyl ester;SCHEMBL3656916;DTXSID20468683;SB30816;BENZYL N-(HEX-5-EN-2-YL)CARBAMATE;EN300-12643137

Chemical Property of Carbamic acid, (1-methyl-4-pentenyl)-, phenylmethyl ester

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 233.141578849
• Heavy Atom Count: 17
• Complexity: 234

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CCC=C)NC(=O)OCC1=CC=CC=C1

Technology Process of Carbamic acid, (1-methyl-4-pentenyl)-, phenylmethyl ester

There total 2 articles about Carbamic acid, (1-methyl-4-pentenyl)-, phenylmethyl ester 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: 60.0%

2-aminohex-5-ene (7380-76-9,73604-43-0) + benzyl chloroformate (501-53-1,94274-21-2) → 2-<(Carbobenzoxy)amino>-5-hexene (78329-35-8)

Guidance literature:

With sodium hydrogencarbonate; In ethanol; water; at 20 ℃; for 1h;

DOI:10.1002/anie.200600052

Reference yield:

(E)-hex-5-en-2-one oxime (57606-70-9) + benzyl chloroformate (501-53-1,94274-21-2) → 2-<(Carbobenzoxy)amino>-5-hexene (78329-35-8)

Guidance literature:

With lithium aluminium tetrahydride; Yield given. Multistep reaction;

DOI:10.1021/jo00332a036

Reference yield: 91.0%

2-<(Carbobenzoxy)amino>-5-hexene (78329-35-8) → 2,5-dimethyl-pyrrolidine-1-carboxylic acid benzyl ester

Guidance literature:

With 2-(di-tert-butylphosphino)-1,1'-biphenylgold(I) chloride; silver trifluoromethanesulfonate; In 1,4-dioxane; at 100 ℃; for 55h;

DOI:10.1002/anie.200600052

upstream raw materials:

(E)-hex-5-en-2-one oxime

benzyl chloroformate

2-aminohex-5-ene

Downstream raw materials:

cis-N-(Carbobenzyloxy)-2,5-dimethylpyrrolidine

trans-N-(Carbobenzyloxy)-2,5-dimethylpyrrolidine

trans-2,5-Dimethylpyrrolidine Hydrochloride