3-Chloro-5-(6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl)-4,6-dihydroxy-2-methylbenzaldehyde

Base Information

Chemical Name:3-Chloro-5-(6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl)-4,6-dihydroxy-2-methylbenzaldehyde
CAS No.:43043-16-9
Molecular Formula:C₁₈H₂₅ClO₅
Molecular Weight:356.846
Hs Code.:
DSSTox Substance ID:DTXSID00702032
Mol file:43043-16-9.mol

Synonyms:DTXSID00702032;43043-16-9;3-Chloro-5-(6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl)-4,6-dihydroxy-2-methylbenzaldehyde

Suppliers and Price of 3-Chloro-5-(6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl)-4,6-dihydroxy-2-methylbenzaldehyde

Supply Marketing:

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

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Chemical Property of 3-Chloro-5-(6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl)-4,6-dihydroxy-2-methylbenzaldehyde

Chemical Property:

PSA：97.99000
LogP:3.27290
XLogP3:3.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:356.1390516
Heavy Atom Count:24
Complexity:451

Purity/Quality:

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)(C)O)O)O)C=O

Technology Process of 3-Chloro-5-(6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl)-4,6-dihydroxy-2-methylbenzaldehyde

There total 21 articles about 3-Chloro-5-(6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl)-4,6-dihydroxy-2-methylbenzaldehyde 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: 65.0%

: (S,E)-3-chloro-4,6-dihydroxy-2-methyl-5-(3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)pent-2-en-1-yl)benzaldehyde

: 43043-16-9,83377-02-0
(S)-colletochlorin A

Guidance literature:: With sulfuric acid; water; In tetrahydrofuran; dichloromethane; water; at 20 ℃; for 0.5h;
DOI:10.1016/j.tet.2018.05.077

Reference yield:

: 105-87-3,8022-83-1
3,7-dimethyl-2E,6-octadien-1-yl acetate

: 43043-16-9,83377-02-0
(+/-)-colletochlorin A

Guidance literature:: Multi-step reaction with 8 steps

1: N-methylmorpholine-N-oxide, OsO₄, NaHSO₃ / acetone; H₂O; 2-methyl-propan-2-ol / 12 h / 50 °C

2: p-TsOH, MgSO₄ / benzene / Ambient temperature

3: 95 percent / K₂CO₃ / methanol; H₂O / 6 h / Ambient temperature

4: 86 percent / PBr₃ / diethyl ether / 0.33 h / -5 °C

5: 1) t-BuLi, 2) NH₄Cl aq. / 1) THF, /-60 -(-)70 degC/, 30 min, 2) -20 deg C

6: 39 percent / NCS, CaCO₃ / 1,2-dimethoxy-ethane; H₂O / Ambient temperature

7: 71 percent / DBU / tetrahydrofuran / 6 h / Heating

8: 1) AcOH, 2) water / 1) 112 deg C, 3 h, 2) reflux, 3 h

With N-chloro-succinimide; osmium(VIII) oxide; water; tert.-butyl lithium; phosphorus tribromide; magnesium sulfate; potassium carbonate; ammonium chloride; toluene-4-sulfonic acid; sodium hydrogensulfite; acetic acid; 4-methylmorpholine N-oxide; 1,8-diazabicyclo[5.4.0]undec-7-ene; calcium carbonate; In tetrahydrofuran; methanol; 1,2-dimethoxyethane; diethyl ether; water; acetone; tert-butyl alcohol; benzene;
DOI:10.1016/0040-4020(82)85107-7

Reference yield:

: 37715-33-6
essigsaeure-<(E)-6,7-dihydroxy-3,7-dimethyl-2-octenyl>ester

: 43043-16-9,83377-02-0
(+/-)-colletochlorin A

Guidance literature:: Multi-step reaction with 7 steps

1: p-TsOH, MgSO₄ / benzene / Ambient temperature

2: 95 percent / K₂CO₃ / methanol; H₂O / 6 h / Ambient temperature

3: 86 percent / PBr₃ / diethyl ether / 0.33 h / -5 °C

4: 1) t-BuLi, 2) NH₄Cl aq. / 1) THF, /-60 -(-)70 degC/, 30 min, 2) -20 deg C

5: 39 percent / NCS, CaCO₃ / 1,2-dimethoxy-ethane; H₂O / Ambient temperature

6: 71 percent / DBU / tetrahydrofuran / 6 h / Heating

7: 1) AcOH, 2) water / 1) 112 deg C, 3 h, 2) reflux, 3 h

With N-chloro-succinimide; water; tert.-butyl lithium; phosphorus tribromide; magnesium sulfate; potassium carbonate; ammonium chloride; toluene-4-sulfonic acid; acetic acid; 1,8-diazabicyclo[5.4.0]undec-7-ene; calcium carbonate; In tetrahydrofuran; methanol; 1,2-dimethoxyethane; diethyl ether; water; benzene;
DOI:10.1016/0040-4020(82)85107-7