Ethyl 3-aminohex-5-enoate

Base Information

• Chemical Name: Ethyl 3-aminohex-5-enoate
• CAS No.: 149193-75-9
• Molecular Formula: C₈H₁₅NO₂
• Molecular Weight: 157.213
• DSSTox Substance ID: DTXSID301312617
• Mol file: 149193-75-9.mol

Synonyms:Ethyl 3-aminohex-5-enoate;149193-75-9;5-Hexenoic acid, 3-amino-, ethyl ester;ethyl 3-amino-5-hexenoate;SCHEMBL7347073;DTXSID301312617

Chemical Property of Ethyl 3-aminohex-5-enoate

Chemical Property:

• PSA: 52.32000
• LogP: 1.54330
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 157.110278721
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(CC=C)N

Technology Process of Ethyl 3-aminohex-5-enoate

There total 1 articles about Ethyl 3-aminohex-5-enoate 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:

4-allylazetidin-2-one (68485-52-9) + ethanol (64-17-5) → ethyl 3-amino-54-hexenoate (149193-75-9)

Guidance literature:

With hydrogenchloride;

DOI:10.1016/S0960-894X(02)00880-6

Reference yield:

ethyl 3-amino-54-hexenoate (149193-75-9) → 3-<<4-<<4-(aminoiminomethyl)phenyl>amino>-1,4-dioxobutyl>amino>-6,6-dimethyl-4-heptynoic acid

Guidance literature:

With ammonium sulfate; phosphate buffer; at 23 ℃; for 20h; porcine liver esterase;

DOI:10.1021/jm00013a014

Reference yield:

ethyl 3-amino-54-hexenoate (149193-75-9) + C16H21N3O5 (1027293-42-0) → ethyl 3-<<4-<<4-(aminoiminomethyl)phenyl>amino>-1,4-dioxobutyl>amino>-5-hexenoate

Guidance literature:

With dmap; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; for 1h;

DOI:10.1021/jm00013a014

upstream raw materials:

4-allylazetidin-2-one

ethanol

Downstream raw materials:

3-benzyloxycarbonylamino-hex-5-enoic acid ethyl ester

3-benzyloxycarbonylamino-6-(tert-butyl-dimethyl-silanyloxy)-hexanoic acid

Refernces