CAS No.1448-36-8,CHOLIC ACID METHYL ESTER Suppliers

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Basic Information

CAS No.:

1448-36-8

Name:

CHOLIC ACID METHYL ESTER

Article Data:

132

Molecular Structure:

Formula:

C25H42 O5

Molecular Weight:

422.605

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

EINECS:

215-903-7

Density:

1.141g/cm³

Melting Point:

155-156°C

Boiling Point:

541.6°Cat760mmHg

Flash Point:

174.9°C

Solubility:

Insoluble in water. Soluble in medium polarity organic solvents.

Appearance:

Off-White Solid

Hazard Symbols:

Safety:

Hazard Codes	Xi
Safety Statements	22-24/25

PSA:

86.99000

LogP:

3.53710

Synthetic route

: 67-56-1
methanol

: 81-25-4
cholic acid

: 1448-36-8
methyl cholate

Conditions

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%

: 186581-53-3, 908094-01-9
diazomethane

: 81-25-4
cholic acid

A methyl chelate: methyl chelate

B: 1448-36-8
methyl cholate

Conditions

Conditions	Yield
In tetrahydrofuran	A 100% B n/a

...Expand

: 81-25-4
cholic acid

: 18107-18-1
diazomethyl-trimethyl-silane

: 1448-36-8
methyl cholate

Conditions

Conditions	Yield
In methanol; hexane; toluene at 20℃;	100%

: 81-25-4
cholic acid

: 75-36-5
acetyl chloride

: 1448-36-8
methyl cholate

Conditions

Conditions	Yield
In methanol for 12.5h; Cooling with ice;	99%
In methanol

: 81-25-4
cholic acid

: 74-88-4
methyl iodide

: 1448-36-8
methyl cholate

Conditions

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

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

A: 1249-75-8, 5405-42-5, 15074-01-8, 15074-02-9, 20231-51-0, 63814-53-9, 106757-10-2, 125412-30-8
methyl lithocholate

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

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

...Expand

: 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

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

...Expand

: 186581-53-3, 908094-01-9
diazomethane

: 81-25-4
cholic acid

: 1448-36-8
methyl cholate

: 7727-82-4
methyl 3,7,12-trioxo-5β-cholan-24-oate

: 1448-36-8
methyl cholate

Conditions

Conditions	Yield
With methanol; sodium tetrahydroborate

Raw Materials

81-25-4

55319-79-4

18107-18-1

74-88-4

3749-87-9

75-36-5

67-56-1

Downstream Products

81-25-4

434-13-9

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Chemistry

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

Safety Profile

Safety Information of Methyl cholate (CAS NO.1448-36-8):
Hazard Codes: Irritant Xi
Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.

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 .