(S)-3-Aminohex-5-enoic acid hydrochloride

Base Information

• Chemical Name: (S)-3-Aminohex-5-enoic acid hydrochloride
• CAS No.: 270263-02-0
• Molecular Formula: C6H12ClNO2
• Molecular Weight: 165.62
• DSSTox Substance ID: DTXSID20375863
• Mol file: 270263-02-0.mol

Synonyms:(S)-3-Aminohex-5-enoic acid hydrochloride;270263-02-0;332064-77-4;(S)-3-Amino-5-hexenoic acid, HCl;(3S)-3-aminohex-5-enoic acid;hydrochloride;(S)-3-Amino-5-hexenoic acid HCl;(S)-3-Amino-5-hexenoic acid hydrochloride;L-beta-Homoallylglycine hydrochloride;(3S)-3-aminohex-5-enoic Acid Hydrochloride;DTXSID20375863;H-Gly(Allyl)-(C#CH2)OH.HCl;MFCD01861086;AKOS015893036;(S)-3-Aminohex-5-enoicacidhydrochloride;AC-22129;PS-12325;(S)-3-AMINOHEX-5-ENOIC ACID HCL;CS-0205045;EN300-7390075;(3S)-3-Aminohex-5-enoic acid--hydrogen chloride (1/1)

Chemical Property of (S)-3-Aminohex-5-enoic acid hydrochloride

Chemical Property:

• Vapor Pressure: 0.00978mmHg at 25°C
• Boiling Point: 244.7 °C at 760 mmHg
• PKA: 3.78±0.10(Predicted)
• Flash Point: 101.8 °C
• PSA: 63.32000
• Density: 1.064
• LogP: 1.86680
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 165.0556563
• Heavy Atom Count: 10
• Complexity: 112

Purity/Quality:

HPLC>98% ^*data from raw suppliers

L-beta-Homoallylglycine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC(CC(=O)O)N.Cl
• Isomeric SMILES: C=CC[C@@H](CC(=O)O)N.Cl
• Uses: (S)-3-Amino-5-hexenoic acid, HCl

Technology Process of (S)-3-Aminohex-5-enoic acid hydrochloride

There total 7 articles about (S)-3-Aminohex-5-enoic acid hydrochloride 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: 92.0%

(±)-2-acetamidohex-5-enoic acid (141943-64-8) → L-homoallylglycine (270263-02-0)

Guidance literature:

With potassium dihydrogenphosphate; potassium hydroxide; In water; at 40 ℃; pH=7.5-8.0; Schlenk technique; Inert atmosphere; Enzymatic reaction;

DOI:10.1039/c8cc03048k

Reference yield:

2-allyl-2,3-dihydro-1H-pyridin-4-one (276699-69-5) → β-allyl aminopropionate (87255-31-0,270263-02-0)

Guidance literature:

2-allyl-2,3-dihydro-1H-pyridin-4-one; With sodium periodate; In water; at 20 ℃; for 2h;

With sodium hydroxide; In water; at 20 ℃; for 20h;

With hydrogenchloride; In water;

DOI:10.1016/j.bmcl.2008.07.074

Reference yield:

(R)-3-(2,2,2-Trichloro-ethoxycarbonylamino)-hex-5-enoic acid (82448-91-7) → (R)-3-aminohex-5-enoic acid (82448-92-8,270263-02-0)

Guidance literature:

With zinc; In methanol;

DOI:10.1246/cl.1982.631

upstream raw materials:

(R)-3-(2,2,2-Trichloro-ethoxycarbonylamino)-hex-5-enoic acid

(R)-1-[1,3]Dithian-2-ylmethyl-but-3-enylamine

[(R)-1-(2-Oxo-ethyl)-but-3-enyl]-carbamic acid 2,2,2-trichloro-ethyl ester

((R)-1-[1,3]Dithian-2-ylmethyl-but-3-enyl)-carbamic acid 2,2,2-trichloro-ethyl ester

Downstream raw materials:

F-moc-protected 3-amino-2-hexenoic acid

Refernces

• 1、 Brown, Neil,Xie, Baohan,Markina, Nataliya,VanderVelde, David,Perchellet, Jean-Pierre H.,Perchellet, Elisabeth M.,Crow, Kyle R.,Buszek, Keith R.. "Synthesis of a natural product-inspired eight-membered ring lactam library via ring-closing metathesis". scheme or table. p. 4876 - 4879. Retrieved 2009/05/30.