CID 4608507

Base Information

• Chemical Name: CID 4608507
• CAS No.: 26371-07-3
• Molecular Formula: C8H15NO2
• Molecular Weight: 157.213
• Hs Code.: 2933399090
• Mol file: 26371-07-3.mol

Synonyms:

Chemical Property of CID 4608507

Chemical Property:

• Vapor Pressure: 0.000498mmHg at 25°C
• Melting Point: 105-110 °C(lit.)
• Refractive Index: 1.488
• Boiling Point: 291 °C at 760 mmHg
• PKA: 3.83±0.10(Predicted)
• Flash Point: 123.8 °C
• PSA: 40.54000
• Density: 1.075 g/cm³
• LogP: 0.88490
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 157.110278721
• Heavy Atom Count: 11
• Complexity: 125

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Piperidinepropionic acid 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC[NH+](CC1)CCC(=O)[O-]
• Uses: Reactant for synthesis of: Protease activated receptor 2 agonists Selective 5-HT6 antagonists Kinesin Eg5 inhibitors Selective ketone histone deacetylase inhibitors JNK2 and JNK3 inhibitors Opioid receptor antagonists

Technology Process of CID 4608507

There total 5 articles about CID 4608507 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: 85.0%

piperidine (110-89-4) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → 1-piperidinepropionic acid (26371-07-3)

Guidance literature:

at 20 ℃; for 48h;

DOI:10.1007/BF02495695

Reference yield:

piperidine (110-89-4) + β-Propiolactone (57-57-8) → 1-piperidinepropionic acid (26371-07-3)

Guidance literature:

With acetonitrile;

DOI:10.1021/ja01151a050

Reference yield:

3-piperidin-1-yl-propionic acid trimethylsilanyl ester (13905-25-4) → 1-piperidinepropionic acid (26371-07-3)

Guidance literature:

With methanol; at 22 ℃; for 4h; Yield given;

DOI:10.1055/s-1989-27440

upstream raw materials:

piperidine

β-Propiolactone

3-piperidin-1-yl-propionic acid trimethylsilanyl ester

acrylic acid methyl ester

Downstream raw materials:

1-(4-{3-[2-(4-Chloro-phenoxymethyl)-4-methyl-benzoimidazol-1-yl]-propyl}-piperidin-1-yl)-3-piperidin-1-yl-propan-1-one

(2α,4β-Diphenylcyclobutane-1α,3β-diyl)dimethyl bis(3-piperidinopropionate)

C₁₇H₂₃N₃O₄

C₁₇H₂₅N₃O₂

Refernces

• 1、 Kwiatkowski,Jeganathan,Tobin,Watt. "A synthesis of N-substituted β-alanines: Michael addition of amines to trimethylsilyl acrylate". . p. 946 - 949. Retrieved 2007/10/02.