trans,trans-1-Chloro-3,7,11-trimethyl-2,6,10-dodecatriene

Base Information

• Chemical Name: trans,trans-1-Chloro-3,7,11-trimethyl-2,6,10-dodecatriene
• CAS No.: 67023-84-1
• Molecular Formula: C₁₅H₂₅Cl
• Molecular Weight: 240.816
• European Community (EC) Number: 806-285-5
• DSSTox Substance ID: DTXSID601313440
• Nikkaji Number: J509.162D
• Mol file: 67023-84-1.mol

Synonyms:67023-84-1;trans,trans-1-Chloro-3,7,11-trimethyl-2,6,10-dodecatriene;(E,E)-Farnesyl chloride;trans,trans-Farnesyl chloride;(2E,6E)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene;SCHEMBL2770760;SCHEMBL16221413;BJVUJIDTICYHLL-YFVJMOTDSA-N;DTXSID601313440;trans,trans-Farnesyl chloride, 97%;AKOS015915281;BS-24496;(E,E)-1-Chloro-3,7,11-trimethyl-2,6,10-dodecatriene;(2E,6E)-1-Chloro-3,7,11-trimethyl-2,6,10-dodecatriene;(6E,10E)-12-CHLORO-2,6,10-TRIMETHYLDODECA-2,6,10-TRIENE

Chemical Property of trans,trans-1-Chloro-3,7,11-trimethyl-2,6,10-dodecatriene

Chemical Property:

• Vapor Pressure: 0.000628mmHg at 25°C
• Refractive Index: n20/D 1.493(lit.)
• Boiling Point: 59-60oC2.4 mm Hg(lit.)
• Flash Point: >230 °F
• PSA: 0.00000
• Density: 0.916 g/mL at 25oC(lit.)
• LogP: 5.64440
• Storage Temp.: 2-8°C
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 240.1644785
• Heavy Atom Count: 16
• Complexity: 265

Purity/Quality:

98%,99%, ^*data from raw suppliers

trans,trans-Farnesyl chloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-27-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=CCCC(=CCCC(=CCCl)C)C)C
• Isomeric SMILES: CC(=CCC/C(=C/CC/C(=C/CCl)/C)/C)C
• Uses: Farnesyl chloride may be used in the synthesis of isoprenoid conjugates of nucleoside 5′-diphosphates.

Technology Process of trans,trans-1-Chloro-3,7,11-trimethyl-2,6,10-dodecatriene

There total 13 articles about trans,trans-1-Chloro-3,7,11-trimethyl-2,6,10-dodecatriene 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: 100.0%

Farnesol (106-28-5) → (2E,6E)-farnesyl chloride (6784-45-8,67023-85-2,72132-86-6,67023-84-1)

Guidance literature:

Farnesol; With 2,4,6-trimethyl-pyridine; methanesulfonyl chloride; In N,N-dimethyl-formamide; at 0 ℃; for 0.25h;

With lithium chloride; In N,N-dimethyl-formamide; at 0 ℃; for 3h;

DOI:10.1016/j.bmc.2017.03.068

Reference yield: 100.0%

N,N-diethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]amine (3482-62-0) → (2E,6E)-farnesyl chloride (6784-45-8,67023-85-2,72132-86-6,67023-84-1)

Guidance literature:

With isobutyl chloroformate; In toluene; at 25 ℃; for 2h; Cooling with ice;

Reference yield:

isoprene (78-79-5,9003-31-0) → (2E,6E)-farnesyl chloride (6784-45-8,67023-85-2,72132-86-6,67023-84-1) + 1-chloro-3,7-dimethylocta-2,6-diene (5389-87-7)

Guidance literature:

With isoprene monohydrochlorides; In 1,2-dichloro-ethane; at 21 - 23 ℃; Product distribution; various ratio of reagents;

upstream raw materials:

(E)-β-farnesene

Farnesol

2(E),8(E)-Farnesyl mesylate

3,7,11-trimethyl-2ξ,6E,10-dodecatrien-1-ol

Downstream raw materials:

6,10,14-trimethyl-5,9,13-pentadecatriene-2-on

2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene

Farnesol

germacrene B