3,5-dinitro-benzoic acid 1-p-tolylsulfanylmethyl-hexyl ester

Base Information

• Chemical Name: 3,5-dinitro-benzoic acid 1-p-tolylsulfanylmethyl-hexyl ester
• CAS No.: 550347-94-9
• Molecular Formula: C₂₁H₂₄N₂O₆S
• Molecular Weight: 432.497
• Mol file: 550347-94-9.mol

Synonyms:3,5-dinitro-benzoic acid 1-p-tolylsulfanylmethyl-hexyl ester

Chemical Property of 3,5-dinitro-benzoic acid 1-p-tolylsulfanylmethyl-hexyl ester

Chemical Property:

Purity/Quality:

Safty Information:

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MSDS Files:

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Technology Process of 3,5-dinitro-benzoic acid 1-p-tolylsulfanylmethyl-hexyl ester

There total 1 articles about 3,5-dinitro-benzoic acid 1-p-tolylsulfanylmethyl-hexyl ester 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:

1-p-tolylsulfanyl-heptan-2-one + 3,5-dinitrobenoyl chloride (99-33-2) → 3,5-dinitro-benzoic acid 1-p-tolylsulfanylmethyl-hexyl ester (550347-94-9)

Guidance literature:

1-p-tolylsulfanyl-heptan-2-one; With borane N-ethyl-N-isopropylaniline complex; (3aR)-1-methyl-3,3-diphenyl-tetrahydro-pyrrolo[1,2-c][1,3,2]oxazaborole; In tetrahydrofuran; at 25 ℃;

3,5-dinitrobenoyl chloride; With N,N,N,N,-tetramethylethylenediamine; In tetrahydrofuran; dichloromethane; at 20 ℃; for 12h;

DOI:10.1016/S0040-4020(03)00254-0

Reference yield: 64.0%

3,5-dinitro-benzoic acid 1-p-tolylsulfanylmethyl-hexyl ester (550347-94-9) → (2R)-(-)-1-(p-toluenesulfanyl)-2-heptanol (550347-82-5)

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃; for 0.333333h;

DOI:10.1016/S0040-4020(03)00254-0

Reference yield:

3,5-dinitro-benzoic acid 1-p-tolylsulfanylmethyl-hexyl ester (550347-94-9) → (S)-octan-3-ol (589-98-0,20296-29-1,70492-66-9,22658-92-0)

Guidance literature:

Multi-step reaction with 4 steps

1: 64 percent / 2N NaOH / methanol / 0.33 h / 20 °C

2: 93 percent / m-chloroperbenzoic acid / CH₂Cl₂ / 0.5 h / 0 - 20 °C

3: 90 percent / n-BuLi / hexane; tetrahydrofuran / 2.5 h / -78 - 20 °C

4: Raney-nickel / methanol / 6 h / 20 °C

With sodium hydroxide; n-butyllithium; 3-chloro-benzenecarboperoxoic acid; nickel; In tetrahydrofuran; methanol; hexane; dichloromethane;

DOI:10.1016/S0040-4020(03)00254-0

upstream raw materials:

3,5-dinitrobenoyl chloride

Downstream raw materials:

(2R)-(-)-1-(p-toluenesulfanyl)-2-heptanol

(S)-octan-3-ol

(2R)-1-[(RS)-p-toluenesulfinyl]-2-heptanol

(2RS,3R)-2-[(RS)-p-toluenesulfinyl]-3-octanol