• Name

  5-Heptylresorcinol

• EINECS 207-909-3
• CAS No. 500-67-4
• Article Data22
• CAS DataBase
• Density 1.033 g/cm³
• Solubility
• Melting Point
• Formula C₁₃H₂₀O₂
• Boiling Point 342.3 °C at 760 mmHg
• Molecular Weight 208.301
• Flash Point 159.5 °C
• Transport Information
• Appearance
• Safety
• Risk Codes
• Molecular Structure
• Hazard Symbols
• Synonyms Resorcinol,5-heptyl- (7CI,8CI);Spherophorol (6CI);5-Heptylresorcinol;Sphaeropherol;
• PSA 40.46000
• LogP 3.61070

Synthetic route

6121-64-8

5-n-heptyl resorcinol dimethyl ether

500-67-4

spherophorol

Conditions

Conditions	Yield
With boron tribromide In dichloromethane at 0 - 25℃; ether cleavage;	100%
With hydrogen bromide; acetic acid In water at 125℃; for 3h; Inert atmosphere;	96%
With boron tribromide In dichloromethane at -78 - 0℃;	91%

137571-77-8

2,2-dimethyl-5-(1-heptyl)-7-hydroxy-4H-1,3-benzodioxin-4-one

500-67-4

spherophorol

Conditions

Conditions	Yield
With potassium hydroxide In dimethyl sulfoxide at 115℃; for 4.5h;	99%
With aqueous KOH In dimethyl sulfoxide	270 mg (99%)

529-56-6

sphaerophorin

500-67-4

spherophorol

Conditions

Conditions	Yield
With potassium hydroxide

70336-35-5

2-Bromo-5-heptyl-3-hydroxy-cyclohex-2-enone

500-67-4

spherophorol

Conditions

Conditions	Yield
With acetic acid

38862-66-7

ethyl 2-heptyl-4,6-dihydroxybenzoate

500-67-4

spherophorol

Conditions

Conditions	Yield
With sodium hydroxide In water Heating;

6121-76-2

sphaerophorolcarboxylic acid

500-67-4

spherophorol

Conditions

Conditions	Yield
at 170℃;

6121-77-3

methyl 2,4-dihydroxy-6-heptylbenzoate

500-67-4

spherophorol

Conditions

Conditions	Yield
With hydrogenchloride; potassium hydroxide 1.) DMSO, 115 deg C, 2.5 h, 2.) 0 deg C, 3 d; Yield given. Multistep reaction;

triethylammonium salt of sphaerophorin

A

500-67-4

spherophorol

B

3209-13-0

O-methylorcinol

C

3-methoxy-5-methylphenyl 2-hydroxy-4-methoxy-6-methylbenzoate

D

decarboxysphaerophorin

Conditions

Conditions	Yield
at 180℃; for 0.166667h; Product distribution; pyrolysis;

...Expand

105-50-0

diethyl 1,3-acetonedicarboxylate

3-oxo-decanoic acid (1)-ethyl ester

3-oxo-decanoic acid (1)-ethyl ester

500-67-4

spherophorol

Conditions

Conditions	Yield
With sodium at 150 - 180℃; Verschmelzen des Reaktionsprodukts mit KOH bei 250grad;

529-56-6

sphaerophorin

ethanolic KOH-solution

ethanolic KOH-solution

A

500-67-4

spherophorol

B

570-10-5

2-hydroxy-4-methoxy-6-methylbenzoic acid

Conditions

Conditions	Yield

...Expand

23815-39-6

3,5-dimethoxy-1-(1-heptenyl)benzene

500-67-4

spherophorol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 95 percent / H2 / Pd/C / ethyl acetate / 20 °C 2: 91 percent / BBr3 / CH2Cl2 / -78 - 0 °C View Scheme
Multi-step reaction with 2 steps 1: 5%-palladium/activated carbon; hydrogen / ethyl acetate / 2 h 2: acetic acid; hydrogen bromide / water / 3 h / 125 °C / Inert atmosphere View Scheme

7311-34-4

3,5-dimethoxybenzaldehdye

500-67-4

spherophorol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 72 percent / diethyl ether / 2 h / Heating 2: 73 percent / trifluoroacetic acid; hydrogen / Pd/C / ethanol / 168 h / 2585.74 Torr 3: 100 percent / BBr3 / CH2Cl2 / 0 - 25 °C View Scheme
Multi-step reaction with 3 steps 1.1: n-butyllithium / hexane; tetrahydrofuran / 0.5 h / 0 °C / Inert atmosphere 1.2: 0 - 20 °C / Inert atmosphere 2.1: 5%-palladium/activated carbon; hydrogen / ethyl acetate / 2 h 3.1: acetic acid; hydrogen bromide / water / 3 h / 125 °C / Inert atmosphere View Scheme

500-67-4

spherophorol

18383-51-2

(-)-trans-carveol

JWH 091

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene at 80℃; for 3h; Cyclization;	57%

500-67-4

spherophorol

22972-51-6

(1S,4R)-p-mentha-2,8-dien-1-ol

55824-13-0

5-heptyl-2-((1R,6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-enyl)benzene-1,3-diol

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene at 10 - 20℃;	32%

500-67-4

spherophorol

74410-00-7

(-)-trans-Isopiperitenol

A

5-heptyl-2-((1S,6S)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-enyl)benzene-1,3-diol

B

C23H34O2

C

C33H48O2

Conditions

Conditions	Yield
With aluminum oxide; boron trifluoride diethyl etherate In dichloromethane for 0.00277778h; Inert atmosphere; Reflux;	A 22% B 6% C 11%

...Expand

5-Heptylresorcinol Specification