CAS No.78613-35-1,Amorolfine Suppliers

Products Categories

Pharmaceutical (67)
Organic Chemicals (19)
Others (14)
Reagent (2)
Materials (1)

Basic Information

Molecular Structure:
CAS No.:	78613-35-1
Name:	Amorolfine
Article Data:	6

Formula:	C₂₁H₃₅NO
Molecular Weight:	317.515
Synonyms:	Morpholine,4-[3-[4-(1,1-dimethylpropyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, cis-;Loceryl;Ro 14-4767;Ro 14-4767/000;(+/-)-cis-2,6-Dimethyl-4-[2-methyl-3-(p-tert-pentylphenyl)propyl]morpholine;
Density:	0.925 g/cm³
Melting Point:	134oC
Boiling Point:	407.077 °C at 760 mmHg
Flash Point:	119.612 °C
Appearance:	white to off-white crystalline powder
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	26-36
PSA:	12.47000
LogP:	4.59990

Synthetic route

: C21H33NO2

: 78613-35-1
amorolfine

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 30℃; Reagent/catalyst; Inert atmosphere;	93%

: 75-85-4
tert-Amyl alcohol

: 922734-43-8
(2R,6S)-2,6-dimethyl-4-(2-methyl-3-phenylpropyl)morpholine hydrochloride

: 78613-35-1
amorolfine

Conditions

Conditions	Yield
Stage #1: (2R,6S)-2,6-dimethyl-4-(2-methyl-3-phenylpropyl)morpholine hydrochloride With sulfuric acid In dichloromethane at -10℃; for 0.166667h; Stage #2: tert-Amyl alcohol In dichloromethane at -10 - 20℃;	91.64%
sulfuric acid In dichloromethane at -5℃; for 1h; Friedel Crafts Alkylation;

: amorolfine hydrochloride

: 78613-35-1
amorolfine

Conditions

Conditions	Yield
With sodium hydroxide In dichloromethane; water pH=13; Product distribution / selectivity;	90%

: C16H26O3S

: 141-91-3, 6485-45-6, 6485-55-8
cis-2,6-dimethylmorpholine

: 78613-35-1
amorolfine

Conditions

Conditions	Yield
With triethylamine In toluene at 25℃; for 8h; Solvent; Reagent/catalyst;	87%

: 594-36-5
2-methyl-2-butylchloride

: 78613-35-1
amorolfine

Conditions

Conditions	Yield
Stage #1: (2R,6S)-2,6-dimethyl-4-(2-methyl-3-phenylpropyl)morpholine hydrochloride With iron(III) chloride In dichloromethane Stage #2: 2-methyl-2-butylchloride In dichloromethane at -20 - 20℃; Stage #3: With sodium hydroxide; water Product distribution / selectivity; more than 3 stages;	8%
Multi-step reaction with 4 steps 1.1: iron(III) chloride / dichloromethane / 0 - 5 °C 2.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dimethyl sulfoxide / 1 h / 25 - 30 °C 2.2: 25 - 30 °C 3.1: palladium on activated charcoal; hydrogen / ethanol / 35 - 40 °C 4.1: lithium aluminium tetrahydride / tetrahydrofuran / 0 - 30 °C / Inert atmosphere View Scheme

Yield

Stage #1: (2R,6S)-2,6-dimethyl-4-(2-methyl-3-phenylpropyl)morpholine hydrochloride With iron(III) chloride In dichloromethane
Stage #2: 2-methyl-2-butylchloride In dichloromethane at -20 - 20℃;
Stage #3: With sodium hydroxide; water Product distribution / selectivity; more than 3 stages;

Multi-step reaction with 4 steps
1.1: iron(III) chloride / dichloromethane / 0 - 5 °C
2.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dimethyl sulfoxide / 1 h / 25 - 30 °C
2.2: 25 - 30 °C
3.1: palladium on activated charcoal; hydrogen / ethanol / 35 - 40 °C
4.1: lithium aluminium tetrahydride / tetrahydrofuran / 0 - 30 °C / Inert atmosphere
View Scheme

: 594-36-5
2-methyl-2-butylchloride

A: 78613-35-1
amorolfine

B: 67564-91-4
cis-4-<3-(4-tert-butylphenyl)-2-methylpropyl>-2,6-dimethylmorpholine

Conditions

Conditions	Yield
Stage #1: (2R,6S)-2,6-dimethyl-4-(2-methyl-3-phenylpropyl)morpholine hydrochloride With iron(III) chloride In dichloromethane Stage #2: 2-methyl-2-butylchloride In dichloromethane at -52 - -20℃; Stage #3: With sodium hydroxide; water Product distribution / selectivity; more than 3 stages;	A n/a B 0.14%

: 922734-43-8
(2R,6S)-2,6-dimethyl-4-(2-methyl-3-phenylpropyl)morpholine hydrochloride

: 594-36-5
2-methyl-2-butylchloride

: 78613-35-1
amorolfine

Conditions

Conditions	Yield
Stage #1: (2R,6S)-2,6-dimethyl-4-(2-methyl-3-phenylpropyl)morpholine hydrochloride; Friedel-Craft catalyst In dichloromethane at -20℃; Stage #2: 2-methyl-2-butylchloride In dichloromethane Reactivity (does not react); Friedel Crafts Alkylation;
Stage #1: (2R,6S)-2,6-dimethyl-4-(2-methyl-3-phenylpropyl)morpholine hydrochloride; Friedel-Craft catalyst In dichloromethane at 0 - 30℃; Stage #2: 2-methyl-2-butylchloride In dichloromethane Product distribution / selectivity; Friedel Crafts Alkylation;
Stage #1: (2R,6S)-2,6-dimethyl-4-(2-methyl-3-phenylpropyl)morpholine hydrochloride; Friedel-Craft catalyst In dichloromethane at 20 - 30℃; Stage #2: 2-methyl-2-butylchloride In dichloromethane at -50℃; for 2.5h; Friedel Crafts Alkylation; Stage #3: With hydrogenchloride; sodium hydroxide Product distribution / selectivity; more than 3 stages;
Stage #1: (2R,6S)-2,6-dimethyl-4-(2-methyl-3-phenylpropyl)morpholine hydrochloride; iron(III) chloride In dichloromethane at 33℃; for 0.166667h; Friedel Crafts Alkylation; Stage #2: 2-methyl-2-butylchloride In dichloromethane at -20℃; for 2.5h; Product distribution / selectivity;

: 922734-43-8
(2R,6S)-2,6-dimethyl-4-(2-methyl-3-phenylpropyl)morpholine hydrochloride

: 594-36-5
2-methyl-2-butylchloride

A: 78613-35-1
amorolfine

B: 67564-91-4
cis-4-<3-(4-tert-butylphenyl)-2-methylpropyl>-2,6-dimethylmorpholine

Conditions

Conditions	Yield
Stage #1: (2R,6S)-2,6-dimethyl-4-(2-methyl-3-phenylpropyl)morpholine hydrochloride; Friedel-Craft catalyst In dichloromethane Stage #2: 2-methyl-2-butylchloride In dichloromethane at -52 - -20℃; Product distribution / selectivity; Friedel Crafts Alkylation;

...Expand

: 1895-97-2
2-methyl-3-phenylacrylic acid

: 78613-35-1
amorolfine

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl acetamide / 0.5 h / 25 °C 1.2: 25 °C 2.1: magnesium / methanol / 60 - 70 °C 3.1: lithium aluminium tetrahydride / tetrahydrofuran / 35 °C 3.2: pH 3 - 4 4.1: sulfuric acid / dichloromethane / 0.17 h / -10 °C 4.2: -10 - 20 °C View Scheme

: 141-91-3, 6485-45-6, 6485-55-8
cis-2,6-dimethylmorpholine

: 78613-35-1
amorolfine

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl acetamide / 0.5 h / 25 °C 1.2: 25 °C 2.1: magnesium / methanol / 60 - 70 °C 3.1: lithium aluminium tetrahydride / tetrahydrofuran / 35 °C 3.2: pH 3 - 4 4.1: sulfuric acid / dichloromethane / 0.17 h / -10 °C 4.2: -10 - 20 °C View Scheme

Total:87 Page 1 of 3 1 2 3 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 78613-35-1

Specification

The Amorolfine, with the CAS registry number 78613-35-1, is also known as (+/-)-cis-2,6-Dimethyl-4-[2-methyl-3-(p-tert-pentylphenyl)propyl]morpholine. This chemical's molecular formula is C₂₁H₃₅NO and molecular weight is 317.51. What's more, its systematic name is (2R,6S)-2,6-Dimethyl-4-{2-methyl-3-[4-(2-methyl-2-butanyl)phenyl]propyl}morpholine. Its classification code is Antimycotic. This chemical is a morpholine antifungal drug that inhibits D14 reductase and D7-D8 isomerase, which depletes ergosterol and causes ignosterol to accumulate in the fungal cytoplasmic cell membranes.

Physical properties of Amorolfine are: (1)ACD/LogP: 5.636; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.82; (4)ACD/LogD (pH 7.4): 5.37; (5)ACD/BCF (pH 5.5): 172.03; (6)ACD/BCF (pH 7.4): 6085.90; (7)ACD/KOC (pH 5.5): 421.85; (8)ACD/KOC (pH 7.4): 14923.66; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 99.093 cm³; (15)Molar Volume: 343.401 cm³; (16)Polarizability: 39.284×10^-24cm³; (17)Surface Tension: 30.99 dyne/cm; (18)Density: 0.925 g/cm³; (19)Flash Point: 119.612 °C; (20)Enthalpy of Vaporization: 65.89 kJ/mol; (21)Boiling Point: 407.077 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O2[C@@H](CN(CC(C)Cc1ccc(cc1)C(C)(C)CC)C[C@@H]2C)C
(2)Std. InChI: InChI=1S/C21H35NO/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22/h8-11,16-18H,7,12-15H2,1-6H3/t16?,17-,18+
(3)Std. InChIKey: MQHLMHIZUIDKOO-AYHJJNSGSA-N