Chlorobactene

Base Information

• Chemical Name: Chlorobactene
• CAS No.: 2932-09-4
• Molecular Formula: C₄₀H₅₂
• Molecular Weight: 532.853
• DSSTox Substance ID: DTXSID701336837
• Nikkaji Number: J14.438J
• Wikidata: Q27149279
• Metabolomics Workbench ID: 28921
• Mol file: 2932-09-4.mol

Synonyms:chlorobactene

Chemical Property of Chlorobactene

Chemical Property:

• PSA: 0.00000
• LogP: 12.32770
• XLogP3: 14.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 13
• Exact Mass: 532.406901659
• Heavy Atom Count: 40
• Complexity: 1090

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C
• Isomeric SMILES: CC1=C(C(=C(C=C1)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)C

Technology Process of Chlorobactene

There total 5 articles about Chlorobactene 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:

methanol (67-56-1) + OH-chlorobactene monosulfate → φ,ψ-carotene (2932-09-4) + OH-chlorobactene (2932-10-7) + 2-((1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-24-Methoxy-3,7,12,16,20,24-hexamethyl-pentacosa-1,3,5,7,9,11,13,15,17,19-decaenyl)-1,3,4-trimethyl-benzene

Guidance literature:

With hydrogenchloride; In water; at 40 ℃; for 1h; Yield given. Yields of byproduct given;

Reference yield:

rhodovibrin → φ,ψ-carotene (2932-09-4)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine, chlorosulfonic acid / 0.75 h / Ambient temperature

2: 0.1 N HCl / H₂O / 1 h / 40 °C

With pyridine; hydrogenchloride; chlorosulfonic acid; In water;

Reference yield:

crocetindial (502-70-5) → φ,ψ-carotene (2932-09-4)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) nBuLi, (ii) /BRN= 1713035/

2: (i) nBuLi, (ii) /BRN= 4080214/

upstream raw materials:

(2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenal

(2,3,6-trimethylbenzyl)triphenylphosphonium bromide

methanol

crocetindial