(S)-2-Amino-3-chloropropanoic acid hydrochloride

Base Information

• Chemical Name: (S)-2-Amino-3-chloropropanoic acid hydrochloride
• CAS No.: 51887-88-8
• Molecular Formula: C3H7Cl2NO2
• Molecular Weight: 160
• Hs Code.: 2922499990
• European Community (EC) Number: 622-191-5
• DSSTox Substance ID: DTXSID90474817
• Mol file: 51887-88-8.mol

Synonyms:51887-88-8;beta-Chloro-D-alanine hydrochloride;(S)-2-Amino-3-chloropropanoic acid hydrochloride;Beta-chloro-d-alanine, HCl;(2S)-2-amino-3-chloropropanoic acid;hydrochloride;C3H7Cl2NO2;H-beta-Chloro-D-Ala-OH HCl;3-Chloro-D-alanine Hydrochloride;|A-Chloro-D-alanine hydrochloride;H-D-Ala(3-Cl)-OH.HCl;SCHEMBL5736294;B-chloro-D-alanine hydrochloride;DTXSID90474817;AMY19767;beta -Chloro-D-alanine hydrochloride;MFCD00012616;AKOS015907867;CS-W016173;FD21124;HY-W015457;D-Alanine,3-chloro-,hydrochloride(9ci);DS-16839;3-Chloro-D-alanine--hydrogen chloride (1/1);A871137;3-Chloro-D-alaninehydrochloride;D-b-Chloroalaninehydrochloride;b-Chloro-D-alaninehydrochloride

Chemical Property of (S)-2-Amino-3-chloropropanoic acid hydrochloride

Chemical Property:

• Vapor Pressure: 0.0105mmHg at 25°C
• Boiling Point: 243.6 °C at 760 mmHg
• Flash Point: 101.1 °C
• PSA: 63.32000
• LogP: 1.13940
• Storage Temp.: −20°C
• Solubility.: DMSO (Slightly), Methanol (Sparingly), Water (Slightly)
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 158.9853839
• Heavy Atom Count: 8
• Complexity: 75.3

Purity/Quality:

98%,99%, ^*data from raw suppliers

β-Chloro-D-alanine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

Useful:

• Canonical SMILES: C(C(C(=O)O)N)Cl.Cl
• Isomeric SMILES: C([C@H](C(=O)O)N)Cl.Cl
• Uses: An effective antibacterial agent.

Technology Process of (S)-2-Amino-3-chloropropanoic acid hydrochloride

There total 1 articles about (S)-2-Amino-3-chloropropanoic 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:

D-Serine (312-84-5,83245-15-2) → (S)-2-amino-3-chloropropanoic acid hydrochloride (51887-88-8,3157-46-8)

Guidance literature:

With hydrogenchloride; thionyl chloride; In 1,4-dioxane; at 20 - 45 ℃; for 20h;

Reference yield: 69.0%

(S)-2-amino-3-chloropropanoic acid hydrochloride (51887-88-8,3157-46-8) → D-β-Chlorolactic acid (82079-44-5)

Guidance literature:

With sulfuric acid; sodium nitrite; room temp., overnight;

DOI:10.1055/s-1987-27974

Reference yield: 62.9%

(S)-2-amino-3-chloropropanoic acid hydrochloride (51887-88-8,3157-46-8) + 2-hydroxyethanethiol (60-24-2) → (S)-2-amino-3-<(2-hydroxyethyl)sulfanyl>propanoic acid (85955-36-8,19179-73-8)

Guidance literature:

With sodium methylate; In water; Ambient temperature;

DOI:10.1271/bbb.62.2382

upstream raw materials:

D-Serine

Downstream raw materials:

(2S,3S)-3-((S)-2-Amino-2-carboxy-ethylsulfanyl)-2-benzyloxycarbonylamino-butyric acid

(2S,3R)-3-((S)-2-Amino-2-carboxy-ethylsulfanyl)-2-benzyloxycarbonylamino-butyric acid

D-β-Chlorolactic acid

N-α-Benzyloxycarbonyl-(L,D)-lanthionin

Refernces