Benzamide, N-(3-aminopropyl)-N-[(1S)-1-[7-chloro-3,4-dihydro-4-oxo-3-(phenylmeth yl)-2-quinazolinyl]-2-methylpropyl]-4-methyl-

Base Information

• Chemical Name: Benzamide, N-(3-aminopropyl)-N-[(1S)-1-[7-chloro-3,4-dihydro-4-oxo-3-(phenylmeth yl)-2-quinazolinyl]-2-methylpropyl]-4-methyl-
• CAS No.: 336113-54-3
• Molecular Formula: C30H33ClN4O2
• Molecular Weight: 517.071

Synonyms:

Chemical Property of Benzamide, N-(3-aminopropyl)-N-[(1S)-1-[7-chloro-3,4-dihydro-4-oxo-3-(phenylmeth yl)-2-quinazolinyl]-2-methylpropyl]-4-methyl-

Chemical Property:

• PSA: 81.22000
• LogP: 6.29520

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Benzamide, N-(3-aminopropyl)-N-[(1S)-1-[7-chloro-3,4-dihydro-4-oxo-3-(phenylmeth yl)-2-quinazolinyl]-2-methylpropyl]-4-methyl-

There total 11 articles about Benzamide, N-(3-aminopropyl)-N-[(1S)-1-[7-chloro-3,4-dihydro-4-oxo-3-(phenylmeth yl)-2-quinazolinyl]-2-methylpropyl]-4-methyl- 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: 87.0%

tert-butyl (3-(N-(1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl)-4-methylbenzamido)propyl)carbamate (1417617-02-7) → (S)-ispinesib (336113-54-3,336113-53-2)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.bmc.2012.11.013

Reference yield:

2-Amino-4-chlorobenzoic acid (89-77-0) → (S)-ispinesib (336113-54-3,336113-53-2)

Guidance literature:

Multi-step reaction with 10 steps

1.1: tetrahydrofuran / 2 h / 20 °C / Inert atmosphere

2.1: 5 h / 100 °C / Inert atmosphere

3.1: toluene / 3 h / Inert atmosphere; Dean-Stark; Reflux

3.2: 5 h / Inert atmosphere; Dean-Stark; Reflux

4.1: sodium acetate; acetic acid; bromine / 4 h / 45 °C / Inert atmosphere

5.1: sodium azide / N,N-dimethyl-formamide / 5 h / 45 °C / Inert atmosphere

6.1: zinc; ammonium chloride / ethyl acetate; methanol / 0.5 h / 20 - 60 °C / Inert atmosphere

7.1: O,O'-dibenzoyl-L-tartaric acid / isopropyl alcohol / 18 h / 20 - 85 °C / Inert atmosphere

8.1: sodium tris(acetoxy)borohydride / 1,2-dichloro-ethane / 6 h / 20 °C / Inert atmosphere

9.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 24 h / 20 °C

10.1: trifluoroacetic acid / dichloromethane / 2 h / 20 °C / Inert atmosphere

With sodium azide; bromine; sodium acetate; sodium tris(acetoxy)borohydride; ammonium chloride; acetic acid; N-ethyl-N,N-diisopropylamine; O,O'-dibenzoyl-L-tartaric acid; trifluoroacetic acid; zinc; In tetrahydrofuran; methanol; dichloromethane; ethyl acetate; 1,2-dichloro-ethane; N,N-dimethyl-formamide; isopropyl alcohol; toluene;

DOI:10.1016/j.bmc.2012.11.013

Reference yield:

isopentanoyl chloride (108-12-3) → (S)-ispinesib (336113-54-3,336113-53-2)

Guidance literature:

Multi-step reaction with 10 steps

1.1: tetrahydrofuran / 2 h / 20 °C / Inert atmosphere

2.1: 5 h / 100 °C / Inert atmosphere

3.1: toluene / 3 h / Inert atmosphere; Dean-Stark; Reflux

3.2: 5 h / Inert atmosphere; Dean-Stark; Reflux

4.1: sodium acetate; acetic acid; bromine / 4 h / 45 °C / Inert atmosphere

5.1: sodium azide / N,N-dimethyl-formamide / 5 h / 45 °C / Inert atmosphere

6.1: zinc; ammonium chloride / ethyl acetate; methanol / 0.5 h / 20 - 60 °C / Inert atmosphere

7.1: O,O'-dibenzoyl-L-tartaric acid / isopropyl alcohol / 18 h / 20 - 85 °C / Inert atmosphere

8.1: sodium tris(acetoxy)borohydride / 1,2-dichloro-ethane / 6 h / 20 °C / Inert atmosphere

9.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 24 h / 20 °C

10.1: trifluoroacetic acid / dichloromethane / 2 h / 20 °C / Inert atmosphere

With sodium azide; bromine; sodium acetate; sodium tris(acetoxy)borohydride; ammonium chloride; acetic acid; N-ethyl-N,N-diisopropylamine; O,O'-dibenzoyl-L-tartaric acid; trifluoroacetic acid; zinc; In tetrahydrofuran; methanol; dichloromethane; ethyl acetate; 1,2-dichloro-ethane; N,N-dimethyl-formamide; isopropyl alcohol; toluene;

DOI:10.1016/j.bmc.2012.11.013

upstream raw materials:

tert-butyl (3-((1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl)amino)propyl)carbamate

4-methyl-benzoyl chloride

2-Amino-4-chlorobenzoic acid

isopentanoyl chloride

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