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Carbonochloridic acid,5-methyl-2-(1-methylethyl)cyclohexyl ester, (1S,2R,5S)-

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Name

Carbonochloridic acid,5-methyl-2-(1-methylethyl)cyclohexyl ester, (1S,2R,5S)-

EINECS N/A
CAS No. 7635-54-3 Density 1.04 g/cm3
PSA 26.30000 LogP 3.82260
Solubility N/A Melting Point N/A
Formula C11H19ClO2 Boiling Point 233.9 °C at 760 mmHg
Molecular Weight 218.724 Flash Point 70 °C
Transport Information UN 3277 6.1/PG 2 Appearance Colorless to light yellow liquid
Safety 26-36/37/39-45-25 Risk Codes 23-34-20/21/22
Molecular Structure Molecular Structure of 7635-54-3 ((+)-MENTHYL CHLOROFORMATE) Hazard Symbols ToxicT,CorrosiveC
Synonyms

Carbonochloridicacid, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1S-(1a,2b,5a)]-;Formic acid, chloro-, p-menth-3-yl ester, (+)- (8CI);(+)-Menthylchloroformate;

Article Data 6

Carbonochloridic acid,5-methyl-2-(1-methylethyl)cyclohexyl ester, (1S,2R,5S)- Synthetic route

bis(trichloromethyl) carbonate

bis(trichloromethyl) carbonate

15356-60-2

(1S,2R,5S)-(+)-menthol

7635-54-3

(+)-(1S,2R,5S)-menthylchloroformate

Conditions
ConditionsYield
With pyridine In dichloromethane at -5 - 25℃; for 13h; Reagent/catalyst; Temperature; Solvent;99%
Carbonylation;
75-44-5

phosgene

15356-60-2

(1S,2R,5S)-(+)-menthol

7635-54-3

(+)-(1S,2R,5S)-menthylchloroformate

Conditions
ConditionsYield
In tetrahydrofuran at 20℃; for 0.75h;95%
In toluene
7635-54-3

(+)-(1S,2R,5S)-menthylchloroformate

494-52-0

Anabasine

(2'S)-[(1S,2R,5S)-menthoxycarbonyl]anabasine

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 60℃; for 2h;100%

1-((4R,5R)-4,5-dihydro-2-(6-((4R,5R)-4,5-dihydro-4,5-diphenyl-1H-imidazol-2-yl)pyridin-2-yl)-4,5-diphenylimidazol-1-yl)(mesityl)methanone

7635-54-3

(+)-(1S,2R,5S)-menthylchloroformate

2-(1-(2,4,6-trimethyl-benzoyl)-[4R,5R]-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)-6-(1-((1S,2R,5S)-2-iso-propyl-5-methylcyclohexyl-3-oxycarbonyl)-[4R,5R]-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)pyridine

Conditions
ConditionsYield
With dmap In dichloromethane at 20℃; for 6h;99%
5950-36-7

aziridine-2-carboxylic acid ethyl ester

7635-54-3

(+)-(1S,2R,5S)-menthylchloroformate

1-(-)-menthyloxycarbonyl-aziridine-2-carboxylic acid ethyl ester

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In acetone at 0 - 20℃;99%
102555-71-5, 124414-36-4, 124414-37-5

1,1'-binaphthalene-2,2'-dithiol

7635-54-3

(+)-(1S,2R,5S)-menthylchloroformate

Thiocarbonic acid O-((1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl) ester S-[2'-((1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyloxycarbonylsulfanyl)-[1,1']binaphthalenyl-2-yl] ester

Thiocarbonic acid O-((1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl) ester S-[2'-((1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyloxycarbonylsulfanyl)-[1,1']binaphthalenyl-2-yl] ester

Conditions
ConditionsYield
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;
7635-54-3

(+)-(1S,2R,5S)-menthylchloroformate

199923-84-7

5-monoamino-25,26,27,28-tetrakis(propyloxy)-calix[4]arene

5-menthyl carbamate-25,26,27,28-tetrapropoxycalix[4]arene

Conditions
ConditionsYield
With pyridine In dichloromethane at 0 - 20℃;98%
7635-54-3

(+)-(1S,2R,5S)-menthylchloroformate

C12H17O4P

C23H35O6P

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 22℃; for 2.5h; Inert atmosphere;97%
7635-54-3

(+)-(1S,2R,5S)-menthylchloroformate

602-09-5

1,1'-bi-2-naphthol

Carbonic acid (1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl ester 2'-((1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyloxycarbonyloxy)-[1,1']binaphthalenyl-2-yl ester

Carbonic acid (1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl ester 2'-((1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyloxycarbonyloxy)-[1,1']binaphthalenyl-2-yl ester

Conditions
ConditionsYield
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;
7635-54-3

(+)-(1S,2R,5S)-menthylchloroformate

156286-12-3

1,2-(2,3-dihydro-1H-azirino)-<60>fullerene

C71H19NO2

Conditions
ConditionsYield
With pyridine In various solvent(s) at 70℃; for 1h;95%

Carbonochloridic acid,5-methyl-2-(1-methylethyl)cyclohexyl ester, (1S,2R,5S)- Specification

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

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