2-[1-(tert-Butoxycarbonyl)-4-(4-fluorophenyl)piperidin-4-yl]acetic acid

Base Information

• Chemical Name: 2-[1-(tert-Butoxycarbonyl)-4-(4-fluorophenyl)piperidin-4-yl]acetic acid
• CAS No.: 644981-80-6
• Molecular Formula: C18H24FNO4
• Molecular Weight: 337.391
• Hs Code.: 2933399990
• European Community (EC) Number: 812-899-4
• Mol file: 644981-80-6.mol

Synonyms:644981-80-6;2-[1-(tert-Butoxycarbonyl)-4-(4-fluorophenyl)piperidin-4-yl]acetic acid;1-Boc-4-(4-fluorophenyl)-4-piperidineacetic acid;2-(1-(tert-Butoxycarbonyl)-4-(4-fluorophenyl)piperidin-4-yl)acetic acid;2-[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;SCHEMBL4159626;AKOS026671007;AB91561;KS-8315;CS-0454651;2-(1-(tert-Butoxycarbonyl)-4-(4-fluorophenyl)piperidin-4-yl)aceticacid

Chemical Property of 2-[1-(tert-Butoxycarbonyl)-4-(4-fluorophenyl)piperidin-4-yl]acetic acid

Chemical Property:

• PSA: 66.84000
• LogP: 3.50700
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 337.16893641
• Heavy Atom Count: 24
• Complexity: 458

Purity/Quality:

95%-98% ^*data from raw suppliers

2-[1-(tert-Butoxycarbonyl)-4-(4-fluorophenyl)piperidin-4-yl]acetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC(CC1)(CC(=O)O)C2=CC=C(C=C2)F

Technology Process of 2-[1-(tert-Butoxycarbonyl)-4-(4-fluorophenyl)piperidin-4-yl]acetic acid

There total 3 articles about 2-[1-(tert-Butoxycarbonyl)-4-(4-fluorophenyl)piperidin-4-yl]acetic 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:

1-piperidinecarboxylic acid, 4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-4-(4-fluorophenyl)-1,1-dimethyl ester (644982-86-5) → [1-{[(1,1-dimethylethyl)-oxy]-carbonyl}-4-(4-fluorophenyl)-4-piperidinyl]-acetic acid (644981-80-6)

Guidance literature:

With water; In pentan-3-one; at 102 ℃; for 24h;

Reference yield:

4-[(1-cyano-1-ethoxycarbonyl)-methyl]-4-(4-fluorophenyl)-piperidine-1-carboxylic acid tert-butyl ester (644981-79-3) → [1-{[(1,1-dimethylethyl)-oxy]-carbonyl}-4-(4-fluorophenyl)-4-piperidinyl]-acetic acid (644981-80-6)

Guidance literature:

4-[(1-cyano-1-ethoxycarbonyl)-methyl]-4-(4-fluorophenyl)-piperidine-1-carboxylic acid tert-butyl ester; With sulfuric acid; water; In acetic acid; at 140 ℃;

With sodium hydroxide; di-tert-butyl dicarbonate; In water; acetic acid; at 20 ℃; for 5h;

With hydrogenchloride; In water; acetic acid; at 0 ℃; pH=3 - 4;

Reference yield:

4-[(1-cyano-1-ethoxycarbonyl)-methyl]-4-(4-fluorophenyl)-piperidine-1-carboxylic acid tert-butyl ester (644981-79-3) + di-tert-butyl dicarbonate (24424-99-5) → [1-{[(1,1-dimethylethyl)-oxy]-carbonyl}-4-(4-fluorophenyl)-4-piperidinyl]-acetic acid (644981-80-6)

Guidance literature:

4-[(1-cyano-1-ethoxycarbonyl)-methyl]-4-(4-fluorophenyl)-piperidine-1-carboxylic acid tert-butyl ester; With sulfuric acid; water; acetic acid; at 140 ℃;

di-tert-butyl dicarbonate; With sodium hydroxide; In water; at 20 ℃; for 5h;

upstream raw materials:

1-piperidinecarboxylic acid, 4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-4-(4-fluorophenyl)-1,1-dimethyl ester

4-[(1-cyano-1-ethoxycarbonyl)-methyl]-4-(4-fluorophenyl)-piperidine-1-carboxylic acid tert-butyl ester

di-tert-butyl dicarbonate

Downstream raw materials:

1,1-dimethylethyl 4-{2-[{[3,5-bis(trifluoromethyl)phenyl]methyl}(methyl)amino]-2-oxoethyl}-4-(4-fluorophenyl)-1-piperidinecarboxylate

4-({[1-(S)-1-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methyl-carbamoyl}-methyl)-4-(4-fluoro-phenyl)-piperidine-1-carboxylic acid tert-butyl ester

4-({[1-(3,5-dibromo-phenyl)-ethyl]-methyl-carbamoyl}-methyl)-4-(4-fluoro-phenyl)-piperidine-1-carboxylic acid tert-butyl ester

4-({[1-(3,5-dibromo-phenyl)-ethyl]-methyl-carbamoyl}-methyl)-4-(4-fluoro-phenyl)-piperidine-1-carboxylic acid tert-butyl ester (enantiomer 2)