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Cas Database |
| Name |
Methyl cholate |
EINECS | 215-903-7 | ||||
| CAS No. | 1448-36-8 | Density | 1.141g/cm3 | ||||
| PSA | 86.99000 | LogP | 3.53710 | ||||
| Solubility | Insoluble in water. Soluble in medium polarity organic solvents. | Melting Point |
155-156°C |
||||
| Formula | C25H42 O5 | Boiling Point | 541.6°Cat760mmHg | ||||
| Molecular Weight | 422.605 | Flash Point | 174.9°C | ||||
| Transport Information | N/A | Appearance | Off-White Solid | ||||
| Safety |
|
Risk Codes | N/A | ||||
| Molecular Structure |
|
Hazard Symbols |
|
||||
| Synonyms |
Cholicacid, methyl ester (6CI,7CI,8CI); Methyl 3a,7a,12a-trihydroxy-5b-cholan-24-oate; Methyl 3a,7a,12a-trihydroxy-5b-cholanoate; Methyl cholate; NSC 126794 |
Article Data | 132 |
Methyl cholate Synthetic route
| Conditions | Yield |
|---|---|
| With diazomethyl-trimethyl-silane In methanol; toluene at 20℃; for 2h; | 100% |
| With acetyl chloride at 20℃; for 72h; | 100% |
| With acetyl chloride at 20℃; for 0.75h; | 100% |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran | A 100% B n/a |
| Conditions | Yield |
|---|---|
| In methanol; hexane; toluene at 20℃; | 100% |
| Conditions | Yield |
|---|---|
| In methanol for 12.5h; Cooling with ice; | 99% |
| In methanol |
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 20℃; | 97% |
| With cesium fluoride In N,N-dimethyl-formamide |
- 55319-79-4
7-α,12-α-dihydroxycholin-4-ene-3-one carboxylic acid methyl ester
A
- 14772-93-1
methyl 3β,7α,12α-trihydroxy-5α-cholan-24-oate
B
- 1448-36-8
methyl cholate
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In pyridine for 20h; Ambient temperature; | A 77% B 23% |
| With sodium tetrahydroborate In pyridine for 20h; Ambient temperature; | A 77% B 23% |
- 3749-87-9
methyl 3α,7α-diacetoxy-12α-hydroxy cholanate
B
- 1249-70-3
Methyl 12α-hydroxy-5β-cholanate
C
- 3701-54-0
methyl 7α,12a-dihydroxy-5β-cholan-24-oate
D
- 1448-36-8
methyl cholate
| Conditions | Yield |
|---|---|
| With potassium Sodium; iso-butanol; Tris(3,6-dioxaheptyl)amine In tetrahydrofuran Ambient temperature; var. cat.: 18-crown-6; Yield given. Yields of byproduct given; | A n/a B 58% C n/a D n/a |
- 3749-87-9
methyl 3α,7α-diacetoxy-12α-hydroxy cholanate
A
- 1249-70-3
Methyl 12α-hydroxy-5β-cholanate
B
- 3245-38-3
methyl deoxycholate
C
- 3701-54-0
methyl 7α,12a-dihydroxy-5β-cholan-24-oate
D
- 1448-36-8
methyl cholate
| Conditions | Yield |
|---|---|
| With potassium Sodium; iso-butanol; Tris(3,6-dioxaheptyl)amine In tetrahydrofuran Ambient temperature; var. cat.: 18-crown-6; Yields of byproduct given; | A 58% B n/a C n/a D n/a |
| Conditions | Yield |
|---|---|
| With methanol; sodium tetrahydroborate |
Methyl cholate Chemical Properties
Molecular Structure of Methyl cholate (CAS NO.1448-36-8):
IUPAC Name: Methyl(4R)-4-[(3R,5S,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Molecular Weight: 422.59798 [g/mol]
Molecular Formula: C25H42O5
XLogP3-AA: 3.9
H-Bond Donor: 3
H-Bond Acceptor: 5
EINECS: 215-903-7
Appearance: Off-White Solid
Melting Point: 155-156 °C
Index of Refraction: 1.539
Molar Refractivity: 116.08 cm3
Molar Volume: 370.2 cm3
Surface Tension: 46 dyne/cm
Density: 1.141 g/cm3
Flash Point: 174.9 °C
Enthalpy of Vaporization: 94.23 kJ/mol
Boiling Point: 541.6 °C at 760 mmHg
Vapour Pressure: 5.49E-14 mmHg at 25 °C
Product Categories: Steroids; Steroids & Hormones - 13C & 2H
Methyl cholate Safety Profile
Safety Information of Methyl cholate (CAS NO.1448-36-8):
Hazard Codes: 
Xi
Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
Methyl cholate Specification
Methyl cholate (CAS NO.1448-36-8), its Synonyms are Methyl 4-(3,7,12-trihydroxy-10,13-dimethylperhydrocyclopenta[a]phenanthren-17-yl)pen ; 5(beta)-Cholmic acid-3alpha,7alpha,12alpha-triol methyl ester ; 5-beta-Cholanic acid-3-alpha, 7-alpha, 12-alpha-triol methyl ester ; Methyl 4-(3,7,12-trihydroxy-10,13-dimethylperhydrocyclopenta[a]phenanthren-17-yl)pentanoate ; Cholic acid methyl ester .
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