14602-86-9

Chemistry, 1 End Use API, 5 Related Intermediates

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Also known as: 14602-86-9, (-)-menthyl chloroformate, (1r)-(-)-menthyl chloroformate, Carbonochloridic acid, (1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexyl ester, 51259-57-5, (1r,2s,5r)-2-isopropyl-5-methylcyclohexyl-carbonochloridate

Molecular Formula

C₁₁H₁₉ClO₂

Molecular Weight

218.72 g/mol

InChI Key

KIUPCUCGVCGPPA-KXUCPTDWSA-N

1 2D Structure

14602-86-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate

2.1.2 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-/m1/s1

2.1.3 InChI Key

KIUPCUCGVCGPPA-KXUCPTDWSA-N

2.1.4 Canonical SMILES

CC1CCC(C(C1)OC(=O)Cl)C(C)C

2.1.5 Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)Cl)C(C)C

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Menthyl Chloroformate

2. S(-)-menthyl Chloroformate

2.2.2 Depositor-Supplied Synonyms

1. 14602-86-9

2. (-)-menthyl Chloroformate

3. (1r)-(-)-menthyl Chloroformate

4. Carbonochloridic Acid, (1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexyl Ester

5. 51259-57-5

6. (1r,2s,5r)-2-isopropyl-5-methylcyclohexyl-carbonochloridate

7. (1r,2s,5r)-5-methyl-2-(propan-2-yl)cyclohexyl Chloroformate

8. Rel-(1r,2s,5r)-2-isopropyl-5-methylcyclohexyl Carbonochloridate

9. [(1r,2s,5r)-5-methyl-2-propan-2-ylcyclohexyl] Carbonochloridate

10. Mfcd00009694

11. Schembl590742

12. (-)-chloroformyloxy-p-menthane

13. Kiupcucgvcgppa-kxucptdwsa-n

14. Akos016843652

15. As-80318

16. M0990

17. D91420

18. En300-111714

19. J-008182

20. (1r)-(-)-menthyl Chloroformate, Optical Purity Ee: 99% (glc)

2.3 Create Date

2006-07-29

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₉ClO₂
Molecular Weight	218.72 g/mol
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	26.3
Heavy Atom Count	14
Formal Charge	0
Complexity	204
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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PMC Isochem

PMC Isochem is your partner for smart CDMOs of Intermediates, APIs, & excipients & a catalog of Intermediates & Generic APIs.

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CAS Number

14602-86-9

Intermediate Name

L-Menthyl chloroformate

About the Company

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, ...

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, active pharmaceutical ingredients and functional excipients for pharmaceutical and personal care companies worldwide. Its business includes research, product and process development, pilot-scale, industrial production and regulatory approvals support. It adds value to its clients' intellectual property through constant innovation in manufacturing techniques throughout the product life cycle. PMC Isochem's facilities are located within 60 miles of Paris and are all US FDA-audited plants.