Ilicicolin A

Base Information

Chemical Name:Ilicicolin A
CAS No.:22581-06-2
Molecular Formula:C₂₃H₃₁ClO₃
Molecular Weight:390.95
Hs Code.:
UNII:69CA58161M
DSSTox Substance ID:DTXSID101347402
Nikkaji Number:J16.211F
Mol file:22581-06-2.mol

Synonyms:Ilicicolin A;22581-06-2;LL-Z 1272-alpha;BRN 2177332;69CA58161M;beta-Resorcylaldehyde, 5-chloro-6-methyl-3-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-;Benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (E,E)-;3-chloro-4,6-dihydroxy-2-methyl-5-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)benzaldehyde;3-Chloro-4,6-dihydroxy-2-methyl-5-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]benzaldehyde;3-CHLORO-4,6-DIHYDROXY-2-METHYL-5-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIEN-1-YL]BENZALDEHYDE;LL-Z-1272alpha;C23H31ClO3;5-chloro-2,4-dihydroxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde;LL-Z1272.ALPHA.;LL-Z 1272.ALPHA.;SCHEMBL15374666;UNII-69CA58161M;C23-H31-Cl-O3;DTXSID101347402;AKOS040735284;LS-24952;.BETA.-RESORCYLALDEHYDE, 5-CHLORO-6-METHYL-3-(3,7,11-TRIMETHYL-2,6,10-DODECATRIENYL)-;3-CHLORO-4,6-DIHYDROXY-5-((2E,6E)-3,7,11-TRIMETHYL-2,6,10-DODECATRIENYL)-2-METHYLBENZALDEHYDE;BENZALDEHYDE, 3-CHLORO-4,6-DIHYDROXY-2-METHYL-5-((2E,6E)-3,7,11-TRIMETHYL-2,6,10-DODECATRIENYL)-

Suppliers and Price of Ilicicolin A

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of Ilicicolin A

Chemical Property:

Vapor Pressure:6.15E-12mmHg at 25°C
Boiling Point:532.1°C at 760 mmHg
Flash Point:275.6°C
PSA：57.53000
Density:1.104g/cm³
LogP:6.83380
XLogP3:7.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:9
Exact Mass:390.1961725
Heavy Atom Count:27
Complexity:560

Purity/Quality:: >98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=C(C(=C1Cl)O)CC=C(C)CCC=C(C)CCC=C(C)C)O)C=O
Isomeric SMILES:CC1=C(C(=C(C(=C1Cl)O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C=O

Technology Process of Ilicicolin A

There total 5 articles about Ilicicolin A 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:

: 24163-93-7,24163-94-8,56881-57-3,6874-67-5,28290-41-7
farnesyl bromide

: 22581-06-2
5-chloro-2,4-dihydroxy-6-methyl-3-<(2'E,6'E)-3',7',11'-trimethyl-2'6'10'-dodecatrienyl>benzaldehyde

Guidance literature:: Multi-step reaction with 4 steps

2: 60.6 percent / NCS, CaCO₃ / dimethylformamide; H₂O / Ambient temperature

3: 72.8 percent / DBU / tetrahydrofuran / 4 h / Heating

4: 1.) EtMgBr / 1.) ether, RT, 30 min; 2.) 100 deg C, 10 min

With N-chloro-succinimide; ethylmagnesium bromide; 1,8-diazabicyclo[5.4.0]undec-7-ene; calcium carbonate; In tetrahydrofuran; water; N,N-dimethyl-formamide;
DOI:10.1016/S0040-4020(01)96890-5

Reference yield:

: 94286-83-6
6-farnesyl-1,5-dimethoxy-3-methyl-1,4-cyclohexadiene

: 22581-06-2
5-chloro-2,4-dihydroxy-6-methyl-3-<(2'E,6'E)-3',7',11'-trimethyl-2'6'10'-dodecatrienyl>benzaldehyde

Guidance literature:: Multi-step reaction with 3 steps

1: 60.6 percent / NCS, CaCO₃ / dimethylformamide; H₂O / Ambient temperature

2: 72.8 percent / DBU / tetrahydrofuran / 4 h / Heating

3: 1.) EtMgBr / 1.) ether, RT, 30 min; 2.) 100 deg C, 10 min

With N-chloro-succinimide; ethylmagnesium bromide; 1,8-diazabicyclo[5.4.0]undec-7-ene; calcium carbonate; In tetrahydrofuran; water; N,N-dimethyl-formamide;
DOI:10.1016/S0040-4020(01)96890-5

Reference yield:

: 94286-84-7
4,6-dichloro-2-farnesyl-5-methyl-1,3-cyclohexanedione

: 22581-06-2
5-chloro-2,4-dihydroxy-6-methyl-3-<(2'E,6'E)-3',7',11'-trimethyl-2'6'10'-dodecatrienyl>benzaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: 72.8 percent / DBU / tetrahydrofuran / 4 h / Heating

2: 1.) EtMgBr / 1.) ether, RT, 30 min; 2.) 100 deg C, 10 min

With ethylmagnesium bromide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran;
DOI:10.1016/S0040-4020(01)96890-5