1-Amino-3-chloropropan-2-ol hydrochloride

Base Information

• Chemical Name: 1-Amino-3-chloropropan-2-ol hydrochloride
• CAS No.: 62037-46-1
• Molecular Formula: C3H9Cl2NO
• Molecular Weight: 146.017
• Hs Code.: 2922199090
• European Community (EC) Number: 263-383-5
• UNII: J12B4S8T1V
• DSSTox Substance ID: DTXSID30956309
• Wikidata: Q27281009
• Mol file: 62037-46-1.mol

Synonyms:1-amino-3-chloropropan-2-ol hydrochloride;62037-46-1;1-amino-3-chloro-2-propanol hydrochloride;1-Amino-3-chloropropan-2-olhydrochloride;1-amino-3-chloropropan-2-ol;hydrochloride;1-Amino-3-chloropropan-2-ol HCl;34839-12-8;UNII-J12B4S8T1V;J12B4S8T1V;(+-)-1-Amino-3-chloro-2-propanol hydrochloride;(+/-)-1-amino-3-chloro-2-propanol hydrochloride;EINECS 263-383-5;2-Propanol, 1-amino-3-chloro-, hydrochloride, (+-)-;C3H9Cl2NO;C3-H8-Cl-N-O.Cl-H;2-Propanol, 1-amino-3-chloro-, hydrochloride;C3H8ClNO.ClH;SCHEMBL932735;DTXSID30956309;BCP08810;MFCD01697322;AKOS016011973;CS-W006320;DS-6916;SB44486;SY060396;LS-121658;LS-121659;FT-0698301;FT-0773504;(+/-)-1-amino-3chloro-2-propanol hydrochloride;(+/-)-1amino-3-chloro-2-propanol hydrochloride;3-CHLORO-2-HYDROXYPROPYLAMINE HYDROCHLORIDE;J-504186;3-CHLORO-2-HYDROXY-1-PROPANAMINE HYDROCHLORIDE;DL-1-AMINO-3-CHLORO-2-PROPANOL-HYDROCHLORIDE;Q27281009;1-Amino-3-chloropropan-2-ol--hydrogen chloride (1/1);2-Propanol, 1-amino-3-chloro-, hydrochloride, (.+.)-;1-AMINO-3-CHLORO-2-PROPANOL HYDROCHLORIDE, (+/-)-;2-PROPANOL, 1-AMINO-3-CHLORO-, HYDROCHLORIDE (1:1);2-Propanol,1-aMino-3-chloro-, hydrochloride (1:1), (2S)-

Chemical Property of 1-Amino-3-chloropropan-2-ol hydrochloride

Chemical Property:

• Melting Point: 181-183 °C (decomp)
• Boiling Point: 240.2°Cat760mmHg
• Flash Point: 99.1°C
• PSA: 46.25000
• Density: 1.203g/cm³
• LogP: 1.04710
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 145.0061193
• Heavy Atom Count: 7
• Complexity: 34

Purity/Quality:

97% ^*data from raw suppliers

1-Amino-3-chloropropan-2-olHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(CCl)O)N.Cl
• Uses: 1-Amino-3-chloropropan-2-ol Hydrochloride is an antifertility agent.

Technology Process of 1-Amino-3-chloropropan-2-ol hydrochloride

There total 5 articles about 1-Amino-3-chloropropan-2-ol 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: 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;

Reference yield:

C16H16ClNO → rac-1-amino-3-chloro-2-propanol hydrochloride (62037-46-1,34839-13-9,54798-66-2)

Guidance literature:

With hydrogenchloride; In water; ethyl acetate; at 60 ℃; for 0.5h; pH=< 4;

DOI:10.1021/acs.oprd.8b00133

Reference yield:

3-benzylidenamino-1-chloropropan-2-ol (6937-15-1) → rac-1-amino-3-chloro-2-propanol hydrochloride (62037-46-1,34839-13-9,54798-66-2)

Guidance literature:

With water;

DOI:10.1021/ja00310a044

upstream raw materials:

3-benzylidenamino-1-chloropropan-2-ol

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

epichlorohydrin

Downstream raw materials:

3-Amino-1,2-propanediol

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

tert-butyl-3-chloro-2-hydroxypropylcarbamate