[(2S)-3-chloro-2-hydroxypropyl]azanium;chloride

Base Information

• Chemical Name: [(2S)-3-chloro-2-hydroxypropyl]azanium;chloride
• CAS No.: 34839-13-9
• Molecular Formula: C₃H₈ClNO*ClH
• Molecular Weight: 146.017
• Hs Code.: 2922199090
• Mol file: 34839-13-9.mol

Synonyms:

Chemical Property of [(2S)-3-chloro-2-hydroxypropyl]azanium;chloride

Chemical Property:

• Vapor Pressure: 0.0067mmHg at 25°C
• Boiling Point: 240.2°Cat760mmHg
• Flash Point: 99.1°C
• PSA: 46.25000
• Density: g/cm³
• LogP: 1.04710
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: DMSO (Slightly), Water (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 145.0061193
• Heavy Atom Count: 7
• Complexity: 34

Purity/Quality:

99% ^*data from raw suppliers

(S)-1-Amino-3-chloro-2-propanolHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(CCl)O)[NH3+].[Cl-]
• Isomeric SMILES: C([C@@H](CCl)O)[NH3+].[Cl-]
• Uses: (S)-1-Amino-3-chloro-2-propanol Hydrochloride is used in biological studies as an orally active male antifertility agent which is mediated by an effect on epididymal and vas deferens sperm.

Technology Process of [(2S)-3-chloro-2-hydroxypropyl]azanium;chloride

There total 14 articles about [(2S)-3-chloro-2-hydroxypropyl]azanium;chloride 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: 91.0%

→ (2S)-1-amino-3-chloropropan-2-ol hydrogen chloride (34839-13-9,54798-66-2)

Guidance literature:

Reference yield: 82.0%

(2S)-1-azido-3-chloropropan-2-ol (681225-50-3) → (2S)-1-amino-3-chloropropan-2-ol hydrogen chloride (34839-13-9,54798-66-2)

Guidance literature:

(2S)-1-azido-3-chloropropan-2-ol; With 1-phenylphospholane-1-oxide; 1,3-diphenyl-disiloxane; In tetrahydrofuran; at 23 ℃; for 24h;

With hydrogenchloride; Reagent/catalyst; Solvent;

DOI:10.1055/s-0040-1707345

Reference yield: 74.04%

epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → rac-1-amino-3-chloro-2-propanol hydrochloride (62037-46-1,34839-13-9,54798-66-2)

Guidance literature:

epichlorohydrin; With ammonia; benzaldehyde; In ethanol; water; at 20 - 40 ℃; for 23h;

With hydrogenchloride; In ethanol; water; toluene; at 35 - 40 ℃; for 6h;

upstream raw materials:

3-benzylidenamino-1-chloropropan-2-ol

2-(3-chloro-2-hydroxypropyl)-1H-isoindole-1,3(2H)-dione

epichlorohydrin

(S)(E,Z)-1-(benzylideneamino)-3-chloropropan-2-ol

Downstream raw materials:

rac-1-acetamido-2-acetoxy-3-chloropropane

tert-butyl-3-chloro-2-hydroxypropylcarbamate

N-[(2S)-3-chloro-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide

tert-butyl (2S)-3-chloro-2-hydroxypropylcarbamate

Refernces

• 1、 Buonomo, Joseph A.,Cole, Malcolm S.,Eiden, Carter G.,Aldrich, Courtney C.. "1,3-Diphenyldisiloxane Enables Additive-Free Redox Recycling Reactions and Catalysis with Triphenylphosphine". . p. 3583 - 3594. Retrieved 2020/09/15.
• 2、 -. "A more than the penem matching bends down the ester side chain new synthetic method". Paragraph 0028. . Retrieved 2017/08/25.