Methyl 4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}butanoate

Base Information

• Chemical Name: Methyl 4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}butanoate
• CAS No.: 332361-10-1
• Molecular Formula: C11H12ClF3N2O2
• Molecular Weight: 296.67300
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID70379533
• Wikidata: Q82169384
• Mol file: 332361-10-1.mol

Synonyms:332361-10-1;Methyl 4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}butanoate;Methyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)butanoate;Methyl 4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]butanoate;METHYL 4-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)BUTANOATE;methyl 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}butanoate;DTXSID70379533;BWMGEOWYULCWDW-UHFFFAOYSA-N;MFCD00172609;AKOS005070221;SB55463;CS-0320350;3H-905;J-522213;methyl 4-[3-chloro-5-(trifluoromethyl)pyrid-2-ylamino]butyrate;Methyl 4-[3-chloro-5-(trifluoromethyl)pyridin-2-ylamino]butanoate;Methyl4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)butanoate

Chemical Property of Methyl 4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}butanoate

Chemical Property:

• Melting Point: 46-48°C
• PSA: 51.22000
• LogP: 3.19190
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 296.0539398
• Heavy Atom Count: 19
• Complexity: 302

Purity/Quality:

98%min ^*data from raw suppliers

Methyl4-([3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino)butanoate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCCNC1=C(C=C(C=N1)C(F)(F)F)Cl

Technology Process of Methyl 4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}butanoate

There total 3 articles about Methyl 4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}butanoate 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:

t-BuOMe + Et3N·HCI salt + 2,3-dichloro-5-trifluoromethylpyridine (69045-84-7) + 4-amino-n-butyric acid (56-12-2) → methyl 4‐{[3‐chloro‐5‐(trifluoromethyl)pyridin‐2‐yl]amino}butanoate (332361-10-1) + 4-(3-chloro-5-trifluoromethylpyridin-2-ylamino)butyric acid hydrazide (332361-09-8)

Guidance literature:

With triethylamine; In methanol; methanolic H₂SO₄(1.9M H₂SO₄in MeOH, 50 ml); dichloromethane; cyclohexane; ethyl acetate;

Reference yield:

2,3-dichloro-5-trifluoromethylpyridine (69045-84-7) → methyl 4‐{[3‐chloro‐5‐(trifluoromethyl)pyridin‐2‐yl]amino}butanoate (332361-10-1)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol / 3 h / 100 - 104 °C

2: 13.8 g / H₂SO₄ / 1.5 h / Heating

With sulfuric acid; In methanol;

DOI:10.1021/jm031112e

Reference yield:

methanol (67-56-1) + 4-(3-chloro-5-trifluoromethyl-pyridin-2-ylamino)-butyric acid; compound with triethyl-amine → methyl 4‐{[3‐chloro‐5‐(trifluoromethyl)pyridin‐2‐yl]amino}butanoate (332361-10-1)

Guidance literature:

With sulfuric acid; for 1.5h; Heating;

DOI:10.1021/jm031112e

upstream raw materials:

methanol

2,3-dichloro-5-trifluoromethylpyridine

4-amino-n-butyric acid

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