Isoquinoline, 6-(1-methylethyl)- (9CI)

Base Information

• Chemical Name: Isoquinoline, 6-(1-methylethyl)- (9CI)
• CAS No.: 790304-84-6
• Molecular Formula: C12H13 N
• Molecular Weight: 171.242
• Mol file: 790304-84-6.mol

Synonyms:6-Isopropylisoquinoline

Chemical Property of Isoquinoline, 6-(1-methylethyl)- (9CI)

Chemical Property:

• Melting Point: 44-45 °C
• Boiling Point: 284.1±9.0 °C(Predicted)
• PKA: 5.80±0.10(Predicted)
• PSA: 12.89000
• Density: 1.026±0.06 g/cm3(Predicted)
• LogP: 3.35820
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99.8% ^*data from raw suppliers

6-ISOPROPYLISOQUINOLINE 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 6-isopropylisoquinoline is a heterocyclic organic compound and can be used as a pharmaceutical intermediate.

Technology Process of Isoquinoline, 6-(1-methylethyl)- (9CI)

There total 3 articles about Isoquinoline, 6-(1-methylethyl)- (9CI) 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: 75.0%

6-bromo-isoquinoline (34784-05-9) + isopropylmagnesium chloride (1068-55-9) → 6-isopropylisoquinoline (790304-84-6)

Guidance literature:

isopropylmagnesium chloride; With zinc(II) chloride; In tetrahydrofuran; at 0 ℃; for 1.5h; Inert atmosphere;

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In tetrahydrofuran; for 0.25h;

6-bromo-isoquinoline; In tetrahydrofuran; for 12h;

Reference yield: 15.0%

N-[(4-isopropylphenyl)methylene]-2,2-dimethoxyethanamine → 6-isopropylisoquinoline (790304-84-6)

Guidance literature:

N-[(4-isopropylphenyl)methylene]-2,2-dimethoxyethanamine; With sulfuric acid; at 140 ℃; for 0.333333h;

With sodium hydroxide; In water;

Reference yield: 14.0%

→ 6-isopropylisoquinoline (790304-84-6)

Guidance literature:

upstream raw materials:

6-bromo-isoquinoline

isopropylmagnesium chloride

Downstream raw materials:

1-chloro-6-isopropylisoquinoline

Refernces

• 1、 Augustine, John Kallikat,Naik, Yanjerappa Arthoba,Mandal, Ashis Baran,Kundapur, Umesha. "An unusual reaction of benzalaminoacetals in trifluoroacetic acid: Facile synthesis of 2-benzylpyrazines". . p. 1176 - 1179. Retrieved 2008/09/18.
• 2、 -. "HEPATITIS C VIRUS INHIBITORS". Page 271-272. . Retrieved 2008/06/13.