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CAS No.: | 7635-54-3 |
---|---|
Name: | (+)-MENTHYL CHLOROFORMATE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C11H19ClO2 |
Molecular Weight: | 218.724 |
Synonyms: | Carbonochloridicacid, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1S-(1a,2b,5a)]-;Formic acid, chloro-, p-menth-3-yl ester, (+)- (8CI);(+)-Menthylchloroformate; |
Density: | 1.04 g/cm3 |
Boiling Point: | 233.9 °C at 760 mmHg |
Flash Point: | 70 °C |
Appearance: | Colorless to light yellow liquid |
Hazard Symbols: | T,C |
Risk Codes: | 23-34-20/21/22 |
Safety: | 26-36/37/39-45-25 |
Transport Information: | UN 3277 6.1/PG 2 |
PSA: | 26.30000 |
LogP: | 3.82260 |
(1S,2R,5S)-(+)-menthol
(+)-(1S,2R,5S)-menthylchloroformate
Conditions | Yield |
---|---|
With pyridine In dichloromethane at -5 - 25℃; for 13h; Reagent/catalyst; Temperature; Solvent; | 99% |
Carbonylation; |
Conditions | Yield |
---|---|
In tetrahydrofuran at 20℃; for 0.75h; | 95% |
In toluene |
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 60℃; for 2h; | 100% |
(+)-(1S,2R,5S)-menthylchloroformate
Conditions | Yield |
---|---|
With dmap In dichloromethane at 20℃; for 6h; | 99% |
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In acetone at 0 - 20℃; | 99% |
1,1'-binaphthalene-2,2'-dithiol
(+)-(1S,2R,5S)-menthylchloroformate
Conditions | Yield |
---|---|
With triethylamine In benzene for 1h; Ambient temperature; Yields of byproduct given; | A 98% B n/a |
With triethylamine In benzene for 1h; Ambient temperature; Yield given. Yields of byproduct given. Title compound not separated from byproducts; |
(+)-(1S,2R,5S)-menthylchloroformate
5-monoamino-25,26,27,28-tetrakis(propyloxy)-calix[4]arene
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 0 - 20℃; | 98% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 22℃; for 2.5h; Inert atmosphere; | 97% |
Conditions | Yield |
---|---|
With triethylamine In benzene for 1h; Ambient temperature; Yields of byproduct given; | A 95% B n/a |
With triethylamine In benzene for 1h; Ambient temperature; Yield given. Yields of byproduct given. Title compound not separated from byproducts; |
(+)-(1S,2R,5S)-menthylchloroformate
1,2-(2,3-dihydro-1H-azirino)-<60>fullerene
Conditions | Yield |
---|---|
With pyridine In various solvent(s) at 70℃; for 1h; | 95% |
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The CAS register number of Carbonochloridic acid,5-methyl-2-(1-methylethyl)cyclohexyl ester, (1S,2R,5S)- is 7635-54-3. It also can be called as (+)-Menthyl Chloroformate and the IUPAC name about this chemical is [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate. The molecular formula about this chemical is C11H19ClO2 and the molecular weight is 218.72. It belongs to the following product categories, such as Chiral; Biochemistry; for Resolution of Alcohols & Thiols; for Resolution of Bases; Monocyclic Monoterpenes; Optical Resolution; Synthetic Organic Chemistry; Terpenes; Acid HalidesAsymmetric Synthesis; Chiral Resolving ReagentsDerivatization Reagents; Chiral Building Blocks; Chiral Resolution Reagents; Derivatization Reagents HPLC; Organic Building Blocks; UV-VIS and so on.
Physical properties about Carbonochloridic acid,5-methyl-2-(1-methylethyl)cyclohexyl ester, (1S,2R,5S)- are: (1)ACD/LogP: 4.83; (2)ACD/LogD (pH 5.5): 4.83; (3)ACD/LogD (pH 7.4): 4.83; (4)ACD/BCF (pH 5.5): 2766.25; (5)ACD/BCF (pH 7.4): 2766.25; (6)ACD/KOC (pH 5.5): 10122.82; (7)ACD/KOC (pH 7.4): 10122.82; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.462; (12)Molar Refractivity: 57.53 cm3; (13)Molar Volume: 209 cm3; (14)Polarizability: 22.8x10-24cm3; (15)Surface Tension: 32 dyne/cm; (16)Enthalpy of Vaporization: 47.06 kJ/mol; (17)Boiling Point: 233.9 °C at 760 mmHg; (18)Vapour Pressure: 0.0546 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 can cause burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you also need avoid contact with eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cl)O[C@@H]1[C@H](CC[C@@H](C1)C)C(C)C
(2)InChI: InChI=1/C11H19ClO2/c1-7(2)9-5-4-8(3)6-10(9)14-11(12)13/h7-10H,4-6H2,1-3H3/t8-,9+,10-/m0/s1
(3)InChIKey: KIUPCUCGVCGPPA-AEJSXWLSBD
(4)Std. InChI: InChI=1S/C11H19ClO2/c1-7(2)9-5-4-8(3)6-10(9)14-11(12)13/h7-10H,4-6H2,1-3H3/t8-,9+,10-/m0/s1
(5)Std. InChIKey: KIUPCUCGVCGPPA-AEJSXWLSSA-N