NITD 609

Base Information

• Chemical Name: NITD 609
• CAS No.: 1193314-23-6
• Molecular Formula: C19H14Cl2FN3O
• Molecular Weight: 390.2383632
• Mol file: 1193314-23-6.mol

Synonyms:NITD 609;(1'R,3'S)-5,7'-Dichloro-6'-fluoro-2',3',4',9'-tetrahydro-3'-methylspiro[3H-indole-3,1'-[1H]pyrido[3,4-b]indol]-2(1H)-one

Chemical Property of NITD 609

Chemical Property:

• Boiling Point: 621.3±55.0 °C(Predicted)
• PKA: 13.87±0.40(Predicted)
• PSA: 60.41000
• Density: 1.58±0.1 g/cm3(Predicted)
• LogP: 4.75760
• Storage Temp.: 2-8°C(protect from light)

Purity/Quality:

99% ^*data from raw suppliers

(1'R,3'S)-5,7'-Dichloro-6'-fluoro-3'-methyl-2',3',4',9'-tetrahydrospiro[indoline-3,1'-pyrido[3,4-b]indol]-2-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of NITD 609

There total 27 articles about NITD 609 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: 96.0%

C38H28Cl2FN3O → cipargamin (1193314-23-6)

Guidance literature:

With triethylsilane; trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1002/anie.201910008

Reference yield: 95.0%

di-tert-butyl-5,7'-dichloro-6'-fluoro-3'-methyl-2-oxo-4',9'-dihydrospiro[indoline-3,1'-pyrido[3,4-b]indole]-1,2'(3'H)-dicarboxylate → cipargamin (1193314-23-6)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 30 ℃; for 24h;

Reference yield: 91.2%

C19H14Cl2FN3O*C10H16O4S (1458665-10-5) → cipargamin (1193314-23-6)

Guidance literature:

With sodium carbonate; In ethanol; water; at 58 ℃;

upstream raw materials:

1-(6-chloro-5-fluoro-1H-indol-3-yl)-propan-2-one

6-chloro-5-fluoro-3-((Z)-2-nitro-propenyl)-1H-indole

(S)-1-(6-chloro-5-fluoro-1H-indol-3-yl)propan-2-amine

C₁₉H₁₄Cl₂FN₃O*C₁₀H₁₆O₄S

Refernces

• 1、 Zhu, Jinbin,Huang, Linwei,Dong, Wei,Li, Naikai,Yu, Xingxin,Deng, Wei-Ping,Tang, Wenjun. "Enantioselective Rhodium-Catalyzed Addition of Arylboroxines to N-Unprotected Ketimines: Efficient Synthesis of Cipargamin". . p. 16119 - 16123. Retrieved 2019/11/03.
• 2、 Wolfard, Jens,Xu, Jie,Zhang, Haiming,Chung, Cheol K.. "Synthesis of Chiral Tryptamines via a Regioselective Indole Alkylation". . p. 5431 - 5434. Retrieved 2018/09/12.