2-Amino-3,3,3-trifluoropropanoic acid hydrochloride

Base Information

• Chemical Name: 2-Amino-3,3,3-trifluoropropanoic acid hydrochloride
• CAS No.: 96105-72-5
• Molecular Formula: C₃H₄F₃NO₂*ClH
• Molecular Weight: 179.526
• Hs Code.: 2922499990
• European Community (EC) Number: 804-323-5
• DSSTox Substance ID: DTXSID70557415
• Mol file: 96105-72-5.mol

Synonyms:96105-72-5;2-Amino-3,3,3-trifluoropropanoic acid hydrochloride;2-Amino-3,3,3-trifluoro-propionic acid hydrochloride;3,3,3-TRIFLUOROALANINE HYDROCHLORIDE;2-Amino-3,3,3-trifluoropropionic acid hydrochloride;3,3,3-TRIFLUORO-DL-ALANINE HYDROCHLORIDE;C3H5ClF3NO2;2-amino-3,3,3-trifluoropropanoic acid;hydrochloride;2-AMINO-3,3,3-TRIFLUOROPROPANOIC ACID HCL;MFCD04973034;2-amino-3,3,3-trifluoropropanoicacidhydrochloride;diethylallylisobutylmalonate;2-amino-3,3,3-trifluoro-propionic acidhydrochloride;2-amino-3,3,3-trifluoro-propanoic acid hydrochloride;SCHEMBL19837180;DTXSID70557415;MRYBJJRPTNOPQK-UHFFFAOYSA-N;AKOS005063871;MS-20489;CS-0059723;EN300-138873;W17058;3,3,3-Trifluoro-DL-alanine hydrochloride, 95%;3,3,3-Trifluoroalanine--hydrogen chloride (1/1);A845544;Z1837073442

Chemical Property of 2-Amino-3,3,3-trifluoropropanoic acid hydrochloride

Chemical Property:

• Vapor Pressure: 0.00518mmHg at 25°C
• Melting Point: 225-235°C
• Boiling Point: 254.9 °C at 760 mmHg
• Flash Point: 108 °C
• PSA: 63.32000
• LogP: 1.46290
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 178.9960906
• Heavy Atom Count: 10
• Complexity: 121

Purity/Quality:

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

2-amino-3,3,3-trifluoropropanoicacid;hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xi
• Statements: 36/37/38-36
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)O)(C(F)(F)F)N.Cl

Technology Process of 2-Amino-3,3,3-trifluoropropanoic acid hydrochloride

There total 7 articles about 2-Amino-3,3,3-trifluoropropanoic 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: 83.0%

ethyl 2-amino-3,3,3-trifluoropropanoate hydrochloride → 3,3,3-trifluoroalanine hydrochloride (96105-72-5)

Guidance literature:

With hydrogenchloride; at 90 ℃; for 12h; Heating;

DOI:10.1016/S0040-4020(97)00517-6

Reference yield:

(N-Benzoxycarbonyl)-2-cyano-3,3,3-trifluoralaninethylester (134297-38-4) → 3,3,3-trifluoroalanine hydrochloride (96105-72-5)

Guidance literature:

With hydrogenchloride; at 80 ℃; for 8h;

Reference yield:

ethyl 2-benzamido-3,3,3-trifluoropropionate (96105-71-4) → 3,3,3-trifluoroalanine hydrochloride (96105-72-5)

Guidance literature:

With hydrogenchloride; Heating;

upstream raw materials:

N-benzoyl-3,3,3-trifluoroaniline methyl ester

N-Benzoyl-3,3,3-trifluoroalanine

N-acetyl-3,3,3-trifluoroalanine methyl ester

ethyl 2-benzamido-3,3,3-trifluoropropionate

Downstream raw materials:

2-(N-benzyloxycarbonylamino)-3,3,3-trifluoropropionic acid

Refernces

• 1、 Burger, Klaus,Hoess, Eva,Gaa, Karl,Sewald, Norbert,Schierlinger, Christian. "New Synthetic Pathways to 3,3,3-Trifluoroalanine, 2-Deutero-3,3,3-trifluoroalanine and their Derivatives". . p. 361 - 384. Retrieved 2007/10/02.