1-(Methoxycarbonyl)piperidine-4-carboxylic acid

Base Information

• Chemical Name: 1-(Methoxycarbonyl)piperidine-4-carboxylic acid
• CAS No.: 197585-42-5
• Molecular Formula: C8H13NO4
• Molecular Weight: 187.196
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID00363425
• Wikidata: Q82147114
• ChEMBL ID: CHEMBL4088138
• Mol file: 197585-42-5.mol

Synonyms:197585-42-5;1-(Methoxycarbonyl)piperidine-4-carboxylic acid;1-(Methoxycarbonyl)-4-piperidinecarboxylic acid;1-methoxycarbonylpiperidine-4-carboxylic acid;Piperidine-1,4-dicarboxylic acid monomethyl ester;MFCD02082494;Bionet2_000548;SCHEMBL3498368;CHEMBL4088138;AMY2933;DTXSID00363425;HMS1365I20;XHA58542;AKOS000204189;SB41243;SY034749;CS-0073679;FT-0719891;VU0507995-1;1-(Methoxycarbonyl)piperidine-4-carboxylicacid;EN300-139032;12N-988;A813923;J-503568;1-(METHOXYCARBONYL)-4-PIPERIDINECARBOXYLICACID;F3055-0203;Z192951218

Chemical Property of 1-(Methoxycarbonyl)piperidine-4-carboxylic acid

Chemical Property:

• Melting Point: 97-99
• PSA: 66.84000
• LogP: 0.48730
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 187.08445790
• Heavy Atom Count: 13
• Complexity: 208

Purity/Quality:

97% ^*data from raw suppliers

1-(Methoxycarbonyl)piperidine-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)N1CCC(CC1)C(=O)O

Technology Process of 1-(Methoxycarbonyl)piperidine-4-carboxylic acid

There total 1 articles about 1-(Methoxycarbonyl)piperidine-4-carboxylic 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:

methyl 4-(hydroxymethyl)piperidine-1-carboxylate (916078-39-2) → N-methoxycarbonylpiperidine-4-carboxaldehyde (916078-41-6) + 1-(methoxycarbonyl)piperidine-4-carboxylic acid (197585-42-5)

Guidance literature:

With sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium hydrogencarbonate; sodium bromide; In water; at 20 ℃; for 24h; Green chemistry;

DOI:10.1039/d0gc03316b

Reference yield: 90.0%

2-(((1-trityl-1H-imidazol-4-yl)methyl)amino)benzo[d]thiazole-6-carbonitrile + 1-(methoxycarbonyl)piperidine-4-carboxylic acid (197585-42-5) → methyl 4-[(6-cyano-1,3-benzothiazol-2-yl)({[1-(triphenylmethyl)-1H-imidazol-4-yl]methyl})carbamoyl]piperidine-1-carboxylate

Guidance literature:

With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine; In dichloromethane; at 0 - 20 ℃; for 16h;

Reference yield: 83.0%

1-(methoxycarbonyl)piperidine-4-carboxylic acid (197585-42-5) → 1-methoxycarbonyl-4-piperidinecarboxylic acid chloride (197585-43-6)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; at 85 ℃; for 0.333333h;

DOI:10.1021/jm020027o

upstream raw materials:

methyl 4-(hydroxymethyl)piperidine-1-carboxylate

Downstream raw materials:

1-methoxycarbonyl-4-piperidinecarboxylic acid chloride

piperidine-1,4-dicarboxylic acid 4-benzyl ester 1-methyl ester

methyl (3S*,4R*)-1,2,5,6-tetrahydro-1-piperidinecarboxylate 3,4-oxide

piperidine-1,4,4-tricarboxylic acid 4-benzyl ester 1,4-dimethyl ester