(r)-1-(Tert-butoxycarbonyl)piperidine-3-carboxylic acid

Base Information

• Chemical Name: (r)-1-(Tert-butoxycarbonyl)piperidine-3-carboxylic acid
• CAS No.: 163438-09-3
• Molecular Formula: C11H19NO4
• Molecular Weight: 229.276
• Hs Code.: 29339900
• European Community (EC) Number: 626-971-6
• DSSTox Substance ID: DTXSID00349209
• Nikkaji Number: J1.216.153K
• Wikidata: Q72450150
• Mol file: 163438-09-3.mol

Synonyms:163438-09-3;(r)-1-boc-piperidine-3-carboxylic acid;(R)-Boc-nipecotic acid;(r)-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid;BOC-D-NIP-OH;(R)-N-Boc-piperidine-3-carboxylic acid;(R)-1-Boc-nipecotic acid;(R)-Boc-Nip-OH;d-1-boc-nipecotic acid;n-boc-(r)-nipecotic acid;(3R)-1-[(tert-butoxy)carbonyl]piperidine-3-carboxylic acid;boc-(r)-nipecotic acid;(r)-(-)-n-boc-nipecotic acid;(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;MFCD02179173;(r)-boc-nip;1,3-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (3R)-;(R)- N-Boc-piperidine-3-carboxylic acid;N-Boc-(R )-nipecotic acid;(r)-(n)-boc-nipecotic acid;SCHEMBL181768;(3R)-1-tert-butoxycarbonylpiperidine-3-carboxylic acid;(3R)-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid;DTXSID00349209;(R)-N-BOC-NIPECOTIC ACID;(r)-boc-piperidine-3-carboxylic acid;AKOS005258725;AC-3374;CS-W002900;DS-1462;PB18558;AC-15319;BP-12855;(r)-n-tert-butyloxycarbonyl-nipecotic acid;A3627;AM20080455;B4836;BOC-(R)-PIPERIDINE-3-CARBOXYLIC ACID;EN300-96348;Q-102968;(R)-1-Boc-piperidine-3-carboxylic acid, AldrichCPR;(R)-N-tertbutoxycarbonyl-3-piperidine carboxylic acid;(r)-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester;F1905-7217;Piperidine-1,3alpha-dicarboxylic acid 1-tert-butyl ester;Z1274223394;(3r)-1-(tert-butoxycarbonyl)-3-piperidinecarboxylic acid;(3R)-Piperidine-1,3-dicarboxylic acid 1-tert-butyl ester;(R)-1-(tert-butoxy carbonyl)piperidine-3-carboxylic acid;(R)-N-(tert-Butoxycarbonyl)-piperidine-3-carboxylic acid;(R)-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid;(R)-1-BOC-NIPECOTIC ACID

Chemical Property of (r)-1-(Tert-butoxycarbonyl)piperidine-3-carboxylic acid

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 6.15E-06mmHg at 25°C
• Boiling Point: 353.2 °C at 760 mmHg
• PKA: 4.49±0.20(Predicted)
• Flash Point: 167.4 °C
• PSA: 66.84000
• Density: 1.164 g/cm³
• LogP: 1.65600
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 229.13140809
• Heavy Atom Count: 16
• Complexity: 282

Purity/Quality:

97% ^*data from raw suppliers

(R)-N-Boc-piperidine-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCCC(C1)C(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC[C@H](C1)C(=O)O
• Uses: 1-Boc-D-nipecotic acid is used as an organic chemical synthesis intermediate.

Technology Process of (r)-1-(Tert-butoxycarbonyl)piperidine-3-carboxylic acid

There total 15 articles about (r)-1-(Tert-butoxycarbonyl)piperidine-3-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: 99.0%

di-tert-butyl dicarbonate (24424-99-5) + (R)-nipecotic acid (1R)-(+)-10-camphorsulfonic acid salt → (R)-1-Boc-nipecotic acid (163438-09-3)

Guidance literature:

With triethylamine; In methanol; at 50 ℃; for 4h;

DOI:10.1021/ja993416p

Reference yield: 97.0%

di-tert-butyl dicarbonate (24424-99-5) + (R)-nipecotic acid (498-95-3,25137-00-2,59045-82-8,60252-41-7,262853-93-0) → (R)-1-Boc-nipecotic acid (163438-09-3)

Guidance literature:

di-tert-butyl dicarbonate; (R)-nipecotic acid; With sodium hydrogencarbonate; In water;

With hydrogenchloride; In water; pH=2;

Reference yield: 96.0%

1-tert-butoxycarbonyl-1,2,5,6-tetrahydropyridine-3-carboxylic acid (86447-11-2) → (R)-1-Boc-nipecotic acid (163438-09-3)

Guidance literature:

With C₄₃H₃₆O₆P₂Ru; hydrogen; In methanol; at 20 ℃; enantioselective reaction; Inert atmosphere;

upstream raw materials:

di-tert-butyl dicarbonate

(R)-nipecotic acid

(3R)-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester

nipecotic acid

Downstream raw materials:

(R)-3-{2-[(R)-1-(4-Chloro-benzyl)-2-(4-cyclohexyl-4-[1,2,4]triazol-1-ylmethyl-piperidin-1-yl)-2-oxo-ethylcarbamoyl]-ethylcarbamoyl}-piperidine-1-carboxylic acid tert-butyl ester

N-(tert-butyloxycarbonyl)piperidine-3(R)-carboxylic acid [2-(3,4-dibenzyloxy-5-oxo-2,5-dihydrofuran-2(R)-yl)-2(S)-hydroxyethyl] ester

(R)-tert-butyl 3-(methoxy(methyl)carbamoyl)piperidine-1-carboxylate

(R)-tert-butyl 3-carbamoylpiperidine-1-carboxylate