CAS No.40652-40-2,1-FORMAMIDO-1-CYCLOHEXENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	40652-40-2
Name:	1-FORMAMIDO-1-CYCLOHEXENE
Article Data:	7

Formula:	C7H11 N O
Molecular Weight:	125.17
Synonyms:	N-(1-Cyclohexenyl)formamide
Density:	1.01g/cm³
Melting Point:	58-63oC
Boiling Point:	282.3°C at 760 mmHg
Flash Point:	158.8°C
Hazard Symbols:
Risk Codes:	R36/37/38
PSA:	29.10000
LogP:	2.21710

Synthetic route

: 100-64-1
Cyclohexanone oxime

: 40652-40-2
N-(cyclohexen-1-yl)formamide

Conditions

Conditions	Yield
With 1H-imidazole; titanium acetate; formyl acetic anhydride In N,N-dimethyl-formamide at 25℃; for 4h;	97%

: 128828-05-7
C13H17NS

: 2258-42-6
Acetic formic anhydride

: 40652-40-2
N-(cyclohexen-1-yl)formamide

Conditions

Conditions	Yield
With triphenylphosphine; methyloxirane In dichloromethane for 18h; Ambient temperature;	76%

: 108-94-1
cyclohexanone

: 77287-34-4, 77287-35-5, 60100-09-6
formamide

: 40652-40-2
N-(cyclohexen-1-yl)formamide

Conditions

Conditions	Yield
With sulfuric acid In toluene for 12h; Condensation; Heating; Dean-Stark-conditions;	76%
With sulfuric acid In toluene	70%

: 1125-02-6
1-cyano-1-formamidocyclohexane

: 40652-40-2
N-(cyclohexen-1-yl)formamide

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran for 6h; Heating;	74%
With potassium tert-butylate In tetrahydrofuran for 6h; Reflux; Inert atmosphere;	74%
at 590℃; under 14 Torr;

: 108-94-1
cyclohexanone

1.1'-dinitro-dicyclohexyl: 1.1'-dinitro-dicyclohexyl

: 40652-40-2
N-(cyclohexen-1-yl)formamide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 61 percent / aq. NH4Cl / diethyl ether / 23 °C 2: 53 percent / Ac2O / 12 h / 23 °C 3: 74 percent / t-BuOK / tetrahydrofuran / 6 h / Heating View Scheme

: 5496-10-6
1-amino-1-cyanocyclohexane

: 40652-40-2
N-(cyclohexen-1-yl)formamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 53 percent / Ac2O / 12 h / 23 °C 2: 74 percent / t-BuOK / tetrahydrofuran / 6 h / Heating View Scheme
Multi-step reaction with 2 steps 1: HCO2H 2: 590 °C / 14 Torr View Scheme

: 931-97-5
1-hydroxy-1-cyclohexanecarbonitrile

: 40652-40-2
N-(cyclohexen-1-yl)formamide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: liq. NH3 / methanol 2: HCO2H 3: 590 °C / 14 Torr View Scheme

: 40652-40-2
N-(cyclohexen-1-yl)formamide

: 1121-57-9
1-isocyanocyclohexene

Conditions

Conditions	Yield
With pyridine; 1,3,5-trichloro-2,4,6-triazine In dichloromethane at 100℃; for 0.166667h; microwave irradiation;	96%
With benzene-1,3-disulfonyl chloride; triethylamine In dichloromethane at 110℃; for 1h;	94%
With Burgess Reagent In dichloromethane for 12h; Ambient temperature;	77%

: 40652-40-2
N-(cyclohexen-1-yl)formamide

A: 1121-57-9
1-isocyanocyclohexene

B: 128798-30-1
1-Isocyano-7-oxa-bicyclo[4.1.0]heptane

Conditions

Conditions	Yield
With trifluoromethylsulfonic anhydride; i-PrNEt; 3,3-dimethyldioxirane 1.) CH2Cl2, -40 deg C; 2.) -78 deg C; Yield given. Multistep reaction. Yields of byproduct given;
With trifluoromethylsulfonic anhydride; 3,3-dimethyldioxirane; N-ethyl-N,N-diisopropylamine 1.) CH2Cl2, -40 deg C; 2.) -78 deg C; Yield given. Multistep reaction. Yields of byproduct given;

: 40652-40-2
N-(cyclohexen-1-yl)formamide

: 255736-71-1
rac-2-[(2-tert-butyloxycarbonyl-aminoethyl)-(2-thymin-methyl-benzoyl)-amino]-3,3-dimethyl-butyric acid-(cyclohexen-1-yl)-amide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 71 percent / phosgene; NEt3 / CH2Cl2 / 1 h / 0 °C 2: 52 percent / methanol / 48 h / 20 °C View Scheme

Raw Materials

100-64-1

931-97-5

108-94-1

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Chemistry

Molecular Structure of N-(1-Cyclohexenyl)formamide (CAS No.40652-40-2):

Molecular Formula: C₇H₁₁NO
Molecular Weight: 125.17
Systematic Name: N-Cyclohex-1-en-1-ylformamide
CAS No: 40652-40-2
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 20.31 Å²
Index of Refraction: 1.494
Molar Refractivity: 36.08 cm³
Molar Volume: 123.8 cm³
Surface Tension: 35.2 dyne/cm
Density: 1.01 g/cm³
Flash Point: 158.8 °C
Melting point: 58-63 ºC
Enthalpy of Vaporization: 52.12 kJ/mol
Boiling Point: 282.3 °C at 760 mmHg
Vapour Pressure: 0.00338 mmHg at 25°C
InChI: InChI=1/C₇H₁₁NO/c9-6-8-7-4-2-1-3-5-7/h4,6H,1-3,5H2,(H,8,9)
InChIKey: PMOWTTQUPBFWRL-UHFFFAOYAJ
Std. InChI: InChI=1S/C₇H₁₁NO/c9-6-8-7-4-2-1-3-5-7/h4,6H,1-3,5H2,(H,8,9)
Std. InChIKey: PMOWTTQUPBFWRL-UHFFFAOYSA-N

Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
F: 10-23

Specification

N-(1-Cyclohexenyl)formamide (CAS No.40652-40-2), it also can be called 1-Formamido-1-cyclohexene .