2-(Aminomethyl)-3,3,3-trifluoropropanoic acid

Base Information

• Chemical Name: 2-(Aminomethyl)-3,3,3-trifluoropropanoic acid
• CAS No.: 122490-10-2
• Molecular Formula: C₄H₆F₃NO₂
• Molecular Weight: 157.092
• Hs Code.: 2922498590
• DSSTox Substance ID: DTXSID60381988
• Nikkaji Number: J603.471C
• Mol file: 122490-10-2.mol

Synonyms:2-(aminomethyl)-3,3,3-trifluoropropanoic acid;122490-10-2;3-Amino-2-(trifluoromethyl)propionic acid;3-amino-2-(trifluoromethyl)propanoic acid;SCHEMBL11195719;DTXSID60381988;JTVNVXKFDGVLJA-UHFFFAOYSA-N;MFCD04038260;AKOS006230201;FT-0691254;2-(aminomethyl)-3,3,3-trifluoropropanoicacid;EN300-170955;3-AMINO-2-(TRIFLUOROMETHYL)PROPIONICACID;J-511518

Chemical Property of 2-(Aminomethyl)-3,3,3-trifluoropropanoic acid

Chemical Property:

• Vapor Pressure: 0.214mmHg at 25°C
• Melting Point: 125-126 °C
• Refractive Index: 1.391
• Boiling Point: 192.4°Cat760mmHg
• PKA: 2.09±0.16(Predicted)
• Flash Point: 70.2°C
• PSA: 63.32000
• Density: 1.432g/cm³
• LogP: 0.90850
• Storage Temp.: 2-8°C
• XLogP3: -2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 157.03506292
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

97% ^*data from raw suppliers

2-(Aminomethyl)-3,3,3-trifluoropropanoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(Aminomethyl)-3,3,3-trifluoropropanoic acid

There total 3 articles about 2-(Aminomethyl)-3,3,3-trifluoropropanoic acid 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: 100.0%

trifluoromethyacrylic acid (381-98-6) → α-(trifluoromethyl)-β-alanine (104939-18-6,122490-10-2)

Guidance literature:

With ammonia; In dichloromethane; at 0 - 5 ℃;

DOI:10.1021/jo00280a014

Reference yield: 98.0%

3-bromo-2-trifluoromethylpropionic acid → α-(trifluoromethyl)-β-alanine (104939-18-6,122490-10-2)

Guidance literature:

With ammonia; at 80 ℃; for 4h; Temperature; Inert atmosphere; Autoclave;

Reference yield: 97.0%

N,O-bis(trimethylsilyl)-α-(trifluoromethyl)-β-alanine (122490-02-2) → α-(trifluoromethyl)-β-alanine (104939-18-6,122490-10-2)

Guidance literature:

In methanol; Ambient temperature;

DOI:10.1021/jo00280a014

upstream raw materials:

trifluoromethyacrylic acid

N,O-bis(trimethylsilyl)-α-(trifluoromethyl)-β-alanine

Downstream raw materials:

5-trifluoromethyl-5,6-dihydrouracil

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