• Name

  (7a,17b)-7-(9-Bromononyl)estra-1,3,5(10)-triene-3,17-diol

• EINECS 682-386-6
• CAS No. 875573-67-4
• Article Data3
• CAS DataBase
• Density 1.196
• Solubility
• Melting Point
• Formula C27H41BrO2
• Boiling Point 586.1±50.0 °C(Predicted)
• Molecular Weight 477.525
• Flash Point
• Transport Information
• Appearance Off-white crystal powder
• Safety
• Risk Codes
• Molecular Structure
• Hazard Symbols
• Synonyms (7α,17β)-7-(9-bromononyl)estra-1,3,5(2)-triene-3,17-diol;(7alpha,17beta)-7-(9-bromononyl)estra-1,3,5(2)-triene-3,17-diol;
• PSA 40.46000
• LogP 7.35100

Synthetic route

875573-66-3

(+)-(7α)-[9-bromononyl]estra-1,3,5(10)-triene-3-ol-17β-yl acetate

875573-67-4

7α-(9-bromononyl)estra-1,3,5(10)-triene-3,17β-diol

Conditions

Conditions	Yield
With methanol; water; hydrogen bromide at 60℃; for 0.8h;
With hydrogen bromide In methanol at 60℃; for 2h; Temperature;	4.3 g
With hydrogen bromide In methanol for 3h; Reflux; Large scale;	4.8 kg

55362-80-6

9-bromononan-1-ol

875573-67-4

7α-(9-bromononyl)estra-1,3,5(10)-triene-3,17β-diol

Conditions

Conditions

Yield

Multi-step reaction with 5 steps 1.1: 1H-imidazole; formaldehyd / toluene / 5 h / 0 - 5 °C / Large scale 2.1: magnesium / tetrahydrofuran / 4.33 h / 50 - 65 °C / Inert atmosphere; Large scale 2.2: 1 h / -30 - -15 °C / Inert atmosphere; Large scale 3.1: triphenylphosphine; bromine / dichloromethane / 3 h / -10 - 25 °C / Inert atmosphere; Large scale 4.1: copper(ll) bromide; lithium bromide / acetonitrile / 3 h / 20 °C / Large scale 5.1: hydrogen bromide / methanol / 3 h / Reflux; Large scale View Scheme

149051-24-1

ω-bromononanyl dimethyl-tert-butylsilyl ether

875573-67-4

7α-(9-bromononyl)estra-1,3,5(10)-triene-3,17β-diol

Conditions

Conditions

Yield

Multi-step reaction with 4 steps 1.1: magnesium / tetrahydrofuran / 4.33 h / 50 - 65 °C / Inert atmosphere; Large scale 1.2: 1 h / -30 - -15 °C / Inert atmosphere; Large scale 2.1: triphenylphosphine; bromine / dichloromethane / 3 h / -10 - 25 °C / Inert atmosphere; Large scale 3.1: copper(ll) bromide; lithium bromide / acetonitrile / 3 h / 20 °C / Large scale 4.1: hydrogen bromide / methanol / 3 h / Reflux; Large scale View Scheme

875573-60-7

7α-[9-(tert-butyldimethylsiloxy)nonyl]estr-4-ene-17β-acetate-3-one

875573-67-4

7α-(9-bromononyl)estra-1,3,5(10)-triene-3,17β-diol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: triphenylphosphine; bromine / dichloromethane / 3 h / -10 - 25 °C / Inert atmosphere; Large scale 2: copper(ll) bromide; lithium bromide / acetonitrile / 3 h / 20 °C / Large scale 3: hydrogen bromide / methanol / 3 h / Reflux; Large scale View Scheme

875573-63-0

(+)-3-oxo-(7α)-[9-bromononyl]estr-4-en-17β-ylacetate

875573-67-4

7α-(9-bromononyl)estra-1,3,5(10)-triene-3,17β-diol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: copper(ll) bromide; lithium bromide / acetonitrile / 3 h / 20 °C / Large scale 2: hydrogen bromide / methanol / 3 h / Reflux; Large scale View Scheme

875573-67-4

7α-(9-bromononyl)estra-1,3,5(10)-triene-3,17β-diol

S-(4,4,5,5,5-pentafluoropentyl)isothiourea p-nitrobenzenesulfonate

153004-31-0

(+)-(7α)-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]estra-1,3,5(10)-triene-3,17β-diol

Conditions

Conditions	Yield
With sodium hydroxide In water; N,N-dimethyl-formamide at 0 - 15℃; for 1.5h; Large scale;	100%

875573-67-4

7α-(9-bromononyl)estra-1,3,5(10)-triene-3,17β-diol

148757-88-4

4,4,5,5,5-pentafluoro-1-pentanethiol

153004-31-0

(+)-(7α)-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]estra-1,3,5(10)-triene-3,17β-diol

Conditions

Conditions	Yield
With sodium hydroxide In N,N-dimethyl acetamide; water for 1h; Product distribution / selectivity;

875573-67-4

7α-(9-bromononyl)estra-1,3,5(10)-triene-3,17β-diol

17356-08-0

thiourea

BrH*C28H44N2O2S

Conditions

Conditions	Yield
In N,N-dimethyl acetamide at 80℃; for 16h;

(7a,17b)-7-(9-Bromononyl)estra-1,3,5(10)-triene-3,17-diol Chemical Properties

(7a,17b)-7-(9-Bromononyl)estra-1,3,5(10)-triene-3,17-diol Uses

(7a,17b)-7-(9-Bromononyl)estra-1,3,5(10)-triene-3,17-diol Specification