Methyl N-Boc-3-Oxopiperidine-4-carboxylate

Base Information

Chemical Name:Methyl N-Boc-3-Oxopiperidine-4-carboxylate
CAS No.:220223-46-1
Molecular Formula:C12H19NO5
Molecular Weight:257.28296
Hs Code.:2933399090
DSSTox Substance ID:DTXSID00441151
Nikkaji Number:J1.029.968C
Mol file:220223-46-1.mol

Synonyms:220223-46-1;Methyl N-Boc-3-Oxopiperidine-4-carboxylate;1-tert-Butyl 4-methyl 3-oxopiperidine-1,4-dicarboxylate;1-(tert-Butyl) 4-methyl 3-oxopiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-oxopiperidine-1,4-dicarboxylate;MethylN-Boc-3-Oxopiperidine-4-carboxylate;MFCD12198882;3-OXO-1,4-PIPERIDINEDICARBOXYLIC ACID 1-(1,1-DIMETHYLETHYL) 4-METHYL ESTER;SCHEMBL23979945;DTXSID00441151;VIA22346;AKOS015897964;SB43828;AS-31571;SY005800;CS-0060924;FT-0730897;A878802;O1-tert-Butyl O4-methyl 3-oxopiperidine-1,4-dicarboxylate;1-(tert-Butyloxycarbonyl)-3-oxo-4-piperidinecarboxylic acid methyl ester

Suppliers and Price of Methyl N-Boc-3-Oxopiperidine-4-carboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3-Oxo-1,4-piperidinedicarboxylicAcid1-(1,1-Dimethylethyl)4-MethylEster
1g
$ 525.00

TRC
3-Oxo-1,4-piperidinedicarboxylicAcid1-(1,1-Dimethylethyl)4-MethylEster
250mg
$ 165.00

Crysdot
1-tert-Butyl4-methyl3-oxopiperidine-1,4-dicarboxylate 97%
5g
$ 618.00

ChemScene
1-(tert-Butyl)4-methyl3-oxopiperidine-1,4-dicarboxylate
250mg
$ 128.00

ChemScene
1-(tert-Butyl)4-methyl3-oxopiperidine-1,4-dicarboxylate
100mg
$ 77.00

ChemScene
1-(tert-Butyl)4-methyl3-oxopiperidine-1,4-dicarboxylate
1g
$ 255.00

Chemenu
1-tert-Butyl4-methyl3-oxopiperidine-1,4-dicarboxylate 95%+
500g
$ 4048.00

Chemenu
1-tert-Butyl4-methyl3-oxopiperidine-1,4-dicarboxylate 95%+
100g
$ 1840.00

American Custom Chemicals Corporation
METHYL N-BOC-3-OXOPIPERIDINE-4-CARBOXYLATE 95.00%
5MG
$ 503.55

Ambeed
MethylN-Boc-3-Oxopiperidine-4-carboxylate 95%
1g
$ 137.00

Total 13 raw suppliers

Chemical Property of Methyl N-Boc-3-Oxopiperidine-4-carboxylate

Chemical Property:

Boiling Point:350.0±42.0 °C(Predicted)
PKA:11.14±0.20(Predicted)
PSA：72.91000
Density:1.175±0.06 g/cm3(Predicted)
LogP:0.92340
Storage Temp.:2-8°C
XLogP3:1.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:257.12632271
Heavy Atom Count:18
Complexity:358

Purity/Quality:

97% ^*data from raw suppliers

3-Oxo-1,4-piperidinedicarboxylicAcid1-(1,1-Dimethylethyl)4-MethylEster ^*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(C(=O)C1)C(=O)OC
Uses 3-Oxo-1,4-piperidinedicarboxylic Acid 1-(1,1-Dimethylethyl) 4-Methyl Ester is used as a reagent in the synthesis of fused pyrimidines as histamine H4 receptor antagonists. 3-Oxo-1,4-piperidinedicarboxylic Acid 1-(1,1-Dimethylethyl) 4-Methyl Ester is also used as a reagent in the synthesis of heterocycles containing a 4-substituted pyrimidine subunit for pharmaceutical use as mGluR1 antagonists for treatment of migraine.

Technology Process of Methyl N-Boc-3-Oxopiperidine-4-carboxylate

There total 4 articles about Methyl N-Boc-3-Oxopiperidine-4-carboxylate 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: 47.0%

: 220223-44-9
4-(tert-Butoxycarbonyl-methoxycarbonylmethyl-amino)-butyric acid methyl ester

: 122019-53-8
3-oxo-1,2-piperidinedicarboxylic acid 1-(1,1-dimethylethyl) 2-methyl ester

: 220223-46-1
3-Oxo-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-methyl ester

Guidance literature:: With potassium tert-butylate; In toluene; for 0.166667h;

Reference yield:

: 24424-99-5
di-tert-butyl dicarbonate

: C₇H₁₁NO₃*ClH

: 220223-46-1
3-Oxo-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-methyl ester

Guidance literature:: With triethylamine; In tetrahydrofuran; dichloromethane; at 20 ℃; for 1h;
DOI:10.1016/j.bmcl.2014.10.010

Reference yield:

: 4-(Carboxymethyl-amino)-butyric acid; hydrochloride

: 220223-46-1
3-Oxo-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 94 percent / AcCl / 5 h / Heating

2: 85 percent / Et₃N / CH₂Cl₂ / Ambient temperature

3: 47 percent / t-BuOK / toluene / 0.17 h

With potassium tert-butylate; triethylamine; acetyl chloride; In dichloromethane; toluene;