TECALCET

Base Information

• Chemical Name: TECALCET
• CAS No.: 148717-49-1
• Molecular Formula: C₁₈H₂₂ClNO
• Molecular Weight: 303.832
• Mol file: 148717-49-1.mol

Synonyms:NPS 568;

Chemical Property of TECALCET

Chemical Property:

• Boiling Point: 416.3±40.0 °C(Predicted)
• PKA: 9.41±0.29(Predicted)
• PSA: 0.00000
• Density: 1.092±0.06 g/cm3(Predicted)
• LogP: 0.00000

Purity/Quality:

98% ^*data from raw suppliers

NPS R-568 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of TECALCET

There total 39 articles about TECALCET 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%

3-(2-chlorophenyl)propan-1-amine (18655-48-6) + 1-(3-Methoxyphenyl)ethanone (586-37-8) → N-[3-(2-chlorophenyl)propyl]-R-α-methyl-3-methoxybenzylamine (148717-49-1,148717-54-8)

Guidance literature:

3-(2-chlorophenyl)propan-1-amine; 1-(3-Methoxyphenyl)ethanone; With titanium(IV) isopropylate; In ethanol; at 20 ℃; for 5h;

With sodium cyanoborohydride; In ethanol;

Reference yield: 98.0%

3-(2-chlorophenyl)propan-1-amine (18655-48-6) + 1-(3-Methoxyphenyl)ethanone (586-37-8) → tecalcet (148717-49-1,148717-54-8)

Guidance literature:

With NaCNBH₃; titanium(IV) isopropylate;

Reference yield: 97.0%

[3-(2-Chloro-phenyl)-propyl]-[1-(3-methoxy-phenyl)-eth-(E)-ylidene]-amine (189289-49-4) → tecalcet (148717-49-1,148717-54-8)

Guidance literature:

With C₃₄H₃₇FeN₃O₂Si; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In hexane; toluene; at -40 - 20 ℃; for 14h; enantioselective reaction;

DOI:10.1002/anie.202006557

upstream raw materials:

(R)-3-(2-chlorophenyl)-N-(1-(3'-methoxyphenyl)ethyl)propanamide

3-(2-chlorophenyl)propanoic acid

(R)-1-(3-methoxyphenyl)ethylamine

3-methoxybenzaldehyde (E)-O-[(1S)-2-hydroxy-1-phenylethyl]oxime

Refernces

• 1、 ?tv?s, Sándor B.,Kappe, C. Oliver. "Continuous-Flow Amide and Ester Reductions Using Neat Borane Dimethylsulfide Complex". . p. 1800 - 1807. Retrieved 2020/02/27.
• 2、 Xi, Xiaomei,Li, Yongjie,Wang, Guannan,Xu, Guangda,Shang, Lina,Zhang, Yao,Xia, Lixin. "Iridium-catalyzed diastereoselective amination of alcohols with chiral: Tert-butanesulfinamide by the use of a borrowing hydrogen methodology". supporting information. p. 7651 - 7654. Retrieved 2019/08/30.