1,2-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S)-

Base Information

• Chemical Name: 1,2-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S)-
• CAS No.: 98303-20-9
• Molecular Formula: C11H19NO4
• Molecular Weight: 229.276
• Hs Code.: 29339900
• DSSTox Substance ID: DTXSID50913338
• Wikidata: Q72450454
• Mol file: 98303-20-9.mol

Synonyms:1,2-PIPERIDINEDICARBOXYLIC ACID, 1-(1,1-DIMETHYLETHYL) ESTER, (2S)-;DTXSID50913338;1-(tert-Butoxycarbonyl)piperidine-2-carboxylate

Chemical Property of 1,2-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S)-

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 6.15E-06mmHg at 25°C
• Melting Point: 130-133 °C(lit.)
• Refractive Index: 1.496
• Boiling Point: 353.2 °C at 760 mmHg
• PKA: 4.03±0.20(Predicted)
• Flash Point: 167.4 °C
• PSA: 66.84000
• Density: 1.164 g/cm₃
• LogP: 1.79850
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 228.12358306
• Heavy Atom Count: 16
• Complexity: 277

Purity/Quality:

98% Min ^*data from raw suppliers

Boc-DL-homoproline ^*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)N1CCCCC1C(=O)[O-]
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)[O-]
• Uses: DL-Boc-pipecolic acid is the protected form of Pipecolic acid (P479760). Pipecolic acid is an intemediary metabolite of L-Lysine (L468895). Its accumulation in the body is characteristic of peroxisomal disorders in infants (such as Zeilweiger syndrome). Pipecolic acid is also used as a catalyst in asymmetric Mannich reactions.

Technology Process of 1,2-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S)-

There total 1 articles about 1,2-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S)- 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: 98.0%

L-N-tert-butoxycarbonyl-4,5-dehydropipecolic acid → L-N-tert-butoxycarbonyl-4,5-dideutero-pipecolic acid + L-N-tert-butoxycarbonyl-pipecolic acid (26250-84-0,28697-17-8,98303-20-9,118552-55-9)

Guidance literature:

With palladium 10% on activated carbon; deuterium; In methanol;

DOI:10.1016/j.chembiol.2010.01.016

Reference yield: 100.0%

1-(tert-butoxycarbonyl)piperidine-2-carboxylic acid (98303-20-9) → (1-methyl-piperidin-2-yl)-methanol (20845-34-5)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 4h; Heating;

DOI:10.1021/jm00101a011

Reference yield: 100.0%

C69H138O8S2Si4 (126789-43-3) + L-N-tert-butoxycarbonyl-pipecolic acid (26250-84-0,28697-17-8,98303-20-9,118552-55-9) → C80H155NO11S2Si4 (126789-44-4)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at -78 - -10 ℃; for 21h;

DOI:10.1021/ja00164a023

Downstream raw materials:

C₈₀H₁₅₅NO₁₁S₂Si₄

(1-methyl-piperidin-2-yl)-methanol

rac-N-(tert-butoxycarbonyl)piperidine-2-carboxamide

tert-butyl 2-(hydroxymethyl)piperidine-1-carboxylate

Refernces