trans-4-methycyclohexyl isocyanate supplier

Name
trans-4-Methycyclohexyl isocyanate
EINECS 608-715-5
CAS No. 32175-00-1
Article Data2
CAS DataBase
Density 1.04 g/cm³
Solubility
Melting Point
Formula C₈H₁₃NO
Boiling Point 182.2 °C at 760 mmHg
Molecular Weight 139.197
Flash Point 60.1 °C
Transport Information
Appearance clear colourless liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isocyanicacid, 4-methylcyclohexyl ester, trans- (8CI);trans-1-Isocyanato-4-methylcyclohexane;
PSA 29.43000
LogP 1.90090

Synthetic route

: 75-44-5
phosgene

: 2523-55-9
trans-4-methylcyclohexanamine

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: C8H14FNO

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

Conditions

Conditions	Yield
In 5,5-dimethyl-1,3-cyclohexadiene at 140℃; under 760.051 Torr; for 3h; Concentration;

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: 119018-29-0
N-{2-[4-(aminosulfonyl)phenyl]ethyl}-3-ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide

: 93479-97-1
glimepiride

Conditions

Conditions	Yield
In tert-butyl methyl ether; cyclohexanone at 30℃; for 10h; Temperature;	94.5%
Stage #1: N-{2-[4-(aminosulfonyl)phenyl]ethyl}-3-ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide With potassium carbonate In acetone; butanone for 0.5h; Inert atmosphere; Reflux; Stage #2: (1R,4R)-1-isocyanato-4-methylcyclohexane In acetone; butanone Inert atmosphere; Reflux;	90%
Stage #1: N-{2-[4-(aminosulfonyl)phenyl]ethyl}-3-ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide With potassium carbonate at 55 - 60℃; for 1h; Heating / reflux; Stage #2: (1R,4R)-1-isocyanato-4-methylcyclohexane In toluene for 12h; Heating / reflux;	86.3%

: 593-71-5
Chloroiodomethane

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: 31715-94-3
trans-2-chloro-N-(4-methylcyclohexyl)acetamide

Conditions

Conditions	Yield
With methyllithium; lithium bromide In diethyl ether at -78℃; for 1h; chemoselective reaction;	91%

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: 26003-39-4
N-(4-methylcyclohexyl)formamide

Conditions

Conditions	Yield
With zirconocene dichloride; lithium tri-t-butoxyaluminum hydride In tetrahydrofuran; 2-methyltetrahydrofuran at 0 - 20℃; for 1h; Inert atmosphere; chemoselective reaction;	87%

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: methyl 2-(methylamino)-5-oxo-5H-thieno[3,2-b]pyran-6-carboxylate

: methyl 2-(1-methyl-3-((1r,4r)-4-methylcyclohexyl)ureido)-5-oxo-5H-thieno[3,2-b]pyran-6-carboxylate

Conditions

Conditions	Yield
In tetrahydrofuran at 90 - 100℃; for 16h;	32.37%

: 51-21-8
5-fluorouracil

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: 5-Fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidine-1-carboxylic acid (4-methyl-cyclohexyl)-amide

Conditions

Conditions	Yield
With pyridine 1.) 90 deg C, 2 h, 2.) RT, overnight;	31%

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: 25199-66-0
N-[2-(4-Sulfamoyl-phenyl)-butyl]-benzamide

: C25H33N3O4S

Conditions

Conditions	Yield
With sodium hydroxide In acetone

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: 54198-69-5
3-Methyl-N-[2-(4-sulfamoyl-phenyl)-butyl]-benzamide

: C26H35N3O4S

Conditions

Conditions	Yield
With sodium hydroxide In acetone

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: 25200-70-8
4-Chloro-N-methyl-N-(4-sulfamoyl-benzyl)-benzamide

: C23H28ClN3O4S

Conditions

Conditions	Yield
With sodium hydroxide In acetone

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: 25200-65-1
3,N-Dimethyl-N-[2-(4-sulfamoyl-phenyl)-ethyl]-benzamide

: C25H33N3O4S

Conditions

Conditions	Yield
With sodium hydroxide In acetone

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: 25199-68-2
4-Chloro-N-[2-(4-sulfamoyl-phenyl)-butyl]-benzamide

: 25257-24-3
C25H32ClN3O4S

Conditions

Conditions	Yield
With sodium hydroxide In acetone

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: 25199-70-6
N-[2-Methyl-2-(4-sulfamoyl-phenyl)-propyl]-benzamide

: 25257-26-5
C25H33N3O4S

Conditions

Conditions	Yield
With sodium hydroxide In acetone

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: 54198-67-3
3-Chloro-N-methyl-N-[2-(4-sulfamoyl-phenyl)-ethyl]-benzamide

: C24H30ClN3O4S

Conditions

Conditions	Yield
With sodium hydroxide In acetone

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: 25196-93-4
N-[2-(2,4,6-Trimethyl-3-sulfamoyl-phenyl)-ethyl]-benzamide

: C26H35N3O4S

Conditions

Conditions	Yield
With sodium hydroxide In acetone

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: 25199-42-2
2-(3,4-Dichloro-phenyl)-N-[2-(4-sulfamoyl-phenyl)-ethyl]-acetamide

: C24H29Cl2N3O4S

Conditions

Conditions	Yield
With sodium hydroxide In acetone

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: 25199-60-4
3-Methyl-3-phenyl-N-[2-(4-sulfamoyl-phenyl)-ethyl]-butyramide

: C27H37N3O4S

Conditions

Conditions	Yield
(i) K2CO3, acetone, (ii) /BRN= 2080824/; Multistep reaction;

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: 25199-46-6
(E)-3-(3,4-Dichloro-phenyl)-N-[2-(4-sulfamoyl-phenyl)-ethyl]-acrylamide

: C25H29Cl2N3O4S

Conditions

Conditions	Yield
With sodium hydroxide In acetone

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: 25199-53-5
2-Benzyl-N-[2-(4-sulfamoyl-phenyl)-ethyl]-butyramide

: C27H37N3O4S

Conditions

Conditions	Yield
With sodium hydroxide In acetone

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: 25199-63-7
3-Methyl-2-phenyl-N-[2-(4-sulfamoyl-phenyl)-ethyl]-butyramide

: C27H37N3O4S

Conditions

Conditions	Yield
(i) K2CO3, acetone, (ii) /BRN= 2080824/; Multistep reaction;

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: 25199-34-2
2-(3,5-Dimethyl-phenoxy)-N-[2-(4-sulfamoyl-phenyl)-ethyl]-acetamide

: C26H35N3O5S

Conditions

Conditions	Yield
With sodium hydroxide In acetone

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: 25199-36-4
2-(3,4-Dimethyl-phenoxy)-N-[2-(4-sulfamoyl-phenyl)-ethyl]-acetamide

: C26H35N3O5S

Conditions

Conditions	Yield
With sodium hydroxide In acetone

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: 25199-55-7
2-Ethyl-2-phenyl-N-(4-sulfamoyl-benzyl)-butyramide

: C27H37N3O4S

Conditions

Conditions	Yield
With sodium hydroxide In acetone

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: 53446-60-9
3-Phenethyloxy-N-[2-(4-sulfamoyl-phenyl)-ethyl]-propionamide

: C27H37N3O5S

Conditions

Conditions	Yield
With sodium hydroxide In acetone

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: 25199-44-4
2-(3,4-Dimethoxy-phenyl)-N-[2-(4-sulfamoyl-phenyl)-ethyl]-acetamide

: C26H35N3O6S

Conditions

Conditions	Yield
With sodium hydroxide In acetone

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: 25199-38-6
2-(2,4-Dichloro-phenoxy)-N-[2-(4-sulfamoyl-phenyl)-ethyl]-acetamide

: C24H29Cl2N3O5S

Conditions

Conditions	Yield
With sodium hydroxide In acetone

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: 25311-80-2
2-(4-Chloro-phenyl)-2-ethyl-N-[2-(4-sulfamoyl-phenyl)-ethyl]-butyramide

: C28H38ClN3O4S

Conditions

Conditions	Yield
With sodium hydroxide In acetone

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: 25199-40-0
2-(2,4-Dichloro-6-methyl-phenoxy)-N-[2-(4-sulfamoyl-phenyl)-ethyl]-acetamide

: C25H31Cl2N3O5S

Conditions

Conditions	Yield
With sodium hydroxide In acetone

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: N-(2-Chloro-5-sulfamoyl-benzyl)-benzamide

: C22H26ClN3O4S

Conditions

Conditions	Yield
With sodium hydroxide In acetone

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: 2-methyl-N-(4-sulfamoylphenethyl)benzamide

: C24H31N3O4S

Conditions

Conditions	Yield
With sodium hydroxide In acetone

: 32175-00-1
(1R,4R)-1-isocyanato-4-methylcyclohexane

: 25196-89-8
N-[2-(2-Chloro-5-sulfamoyl-phenyl)-ethyl]-benzamide

: C23H28ClN3O4S

Conditions

Conditions	Yield
With sodium hydroxide In acetone

trans-4-methycyclohexyl isocyanate Specification

The trans-4-methycyclohexyl isocyanate, with the CAS registry number 32175-00-1, is also named trans-4-methyl cyclohexyl isocyanate. It is a kind of clear colourless liquid, and belongs to the product category of Pharmaceutical intermediates. And the molecular formula of this chemical is C₈H₁₃NO. What's more, it is usually used as intermediate for the preparation of Glimepiride.

The physical properties of trans-4-methycyclohexyl isocyanate are as followings: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.38; (4)ACD/LogD (pH 7.4): 3.38; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 29.43 Å²; (9)Index of Refraction: 1.518; (10)Molar Refractivity: 40.58 cm³; (11)Molar Volume: 133.7 cm³; (12)Polarizability: 16.08×10^-24cm³; (13)Surface Tension: 35.4 dyne/cm; (14)Density: 1.04 g/cm³; (15)Flash Point: 60.1 °C; (16)Enthalpy of Vaporization: 41.85 kJ/mol; (17)Boiling Point: 182.2 °C at 760 mmHg; (18)Vapour Pressure: 0.818 mmHg at 25°C.

Uses of trans-4-methycyclohexyl isocyanate: It can react with 5-fluoro-1H-pyrimidine-2,4-dione to produce 5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidine-1-carboxylic acid (4-methyl-cyclohexyl)-amide. This reaction will need reagent pyridine, and the yield is about 31%.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1CCC(CC1)N=C=O
(2)InChI: InChI=1/C8H13NO/c1-7-2-4-8(5-3-7)9-6-10/h7-8H,2-5H2,1H3/t7-,8-
(3)InChIKey: SWSXEZOUBBVKCO-ZKCHVHJHBX

Product Name

trans-4-Methycyclohexyl isocyanate

Synthetic route

trans-4-methycyclohexyl isocyanate Specification

Related Products

Hot Products