Cas no 885280-38-6 (tert-butyl N-(3-oxocyclohexyl)carbamate)

Tert-butyl N-(3-oxocyclohexyl)carbamate is a versatile intermediate in organic synthesis, particularly valued for its role in the preparation of pharmaceuticals and fine chemicals. The tert-butyloxycarbonyl (Boc) protecting group enhances stability and selectivity during reactions, while the 3-oxocyclohexyl moiety provides a reactive ketone functionality for further derivatization. This compound is commonly employed in peptide synthesis, medicinal chemistry, and the development of bioactive molecules due to its compatibility with a wide range of reaction conditions. Its crystalline solid form ensures ease of handling and storage. The structural features of tert-butyl N-(3-oxocyclohexyl)carbamate make it a reliable choice for researchers seeking controlled functionalization in complex synthetic pathways.
tert-butyl N-(3-oxocyclohexyl)carbamate structure
885280-38-6 structure
Product Name:tert-butyl N-(3-oxocyclohexyl)carbamate
CAS No:885280-38-6
MF:C11H19NO3
MW:213.273463487625
MDL:MFCD03790905
CID:69302
PubChem ID:44228975
Update Time:2025-05-20

tert-butyl N-(3-oxocyclohexyl)carbamate Chemical and Physical Properties

Names and Identifiers

    • (3-Oxo-cyclohexyl)-carbamic acid tert-butyl ester
    • 3-(Boc-amino)cyclohexanone
    • 3-N-Boc-aminocyclohexanone
    • (3-Oxo-cyclohexyl)-carbamic acid benzyl ester
    • (3-Oxocyclohexyl)carbamic Acid tert-Butyl Ester
    • Carbamic acid, (3-oxocyclohexyl)-, 1,1-dimethylethyl ester
    • tert-butyl N-(3-oxocyclohexyl)carbamate
    • HT774
    • t-butyl 3-oxocyclohexylcarbamate
    • tert-butyl3-oxocyclohexylcarbamate
    • tert-Butyl (3-oxocyclohexyl)carbamate
    • tert-butyl 3-oxocyclohexylcarbamate
    • (S)-tert-Butyl (3-oxocyclohexyl)carbamate
    • tert-butyl N-[(1R)-3-oxocyclohexyl]carbamate
    • PubChem20066
    • TERT-BUTYL (S)-(3-OXOCYCLOHEXYL)CARBAMATE
    • 3-(Boc-amino)cyclohexan-1-one
    • AMCH00011
    • VGDCXKATFLOEHF
    • 3-Boc-aminocyclohexanone
    • 1,1-Dimethylethyl N-(3-oxocyclohexyl)carbamate (ACI)
    • Carbamic acid, (3-oxocyclohexyl)-, 1,1-dimethylethyl ester (9CI)
    • 3-(((tert-Butoxy)carbonyl)amino)cyclohexanone
    • MDL： MFCD03790905
    • Inchi： 1S/C11H19NO3/c1-11(2,3)15-10(14)12-8-5-4-6-9(13)7-8/h8H,4-7H2,1-3H3,(H,12,14)
    • InChI Key： VGDCXKATFLOEHF-UHFFFAOYSA-N
    • SMILES： O(C(NC1CC(CCC1)=O)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 213.13600
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 255
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 6
  • XLogP3: 1.2
  • Topological Polar Surface Area: 55.4

Experimental Properties

  • Color/Form: White to Yellow Solid
  • Melting Point: 84-87°C
  • Boiling Point: 335.9℃ at 760 mmHg
  • PSA: 55.40000
  • LogP: 2.41370

tert-butyl N-(3-oxocyclohexyl)carbamate Security Information

tert-butyl N-(3-oxocyclohexyl)carbamate Customs Data

  • HS CODE：2924299090
  • Customs Data：

    China Customs Code:

    2924299090

    Overview:

    2924299090. Other cyclic amides(Including cyclic carbamates)(Including their derivatives as well as their salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

tert-butyl N-(3-oxocyclohexyl)carbamate Pricemore >>

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tert-butyl N-(3-oxocyclohexyl)carbamate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: tert-Butyl hydroperoxide ,  Iodobenzene diacetate Solvents: Acetonitrile ,  Water ;  0.5 h, 25 °C; 1.5 h, 25 °C
Reference
An Unexpected Oxidation of Unactivated Methylene C-H Using DIB/TBHP Protocol
Zhao, Yi; Yim, Wai-Leung; Tan, Chong Kiat; Yeung, Ying-Yeung, Organic Letters, 2011, 13(16), 4308-4311

Production Method 2

Reaction Conditions
1.1 Catalysts: Bismuth nitrate
Reference
Divergent Stereoselectivity in Phosphothreonine (pThr)-Catalyzed Reductive Aminations of 3-Amidocyclohexanones
Shugrue, Christopher R. ; Featherston, Aaron L.; Lackner, Rachel M.; Lin, Angela; Miller, Scott J., Journal of Organic Chemistry, 2018, 83(8), 4491-4504

Production Method 3

Reaction Conditions
1.1 Reagents: Bismuth nitrate Solvents: Dichloromethane
Reference
Serendipity in drug-discovery: A new series of 2-(benzyloxy)benzamides as TRPM8 antagonists
Brown, Alan; Ellis, David; Favor, David A.; Kirkup, Tony; Klute, Wolfgang; et al, Bioorganic & Medicinal Chemistry Letters, 2013, 23(22), 6118-6122

tert-butyl N-(3-oxocyclohexyl)carbamate Raw materials

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tert-butyl N-(3-oxocyclohexyl)carbamate Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:885280-38-6)(3-OXO-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER
Order Number:sfd4318
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:33
Price ($):discuss personally

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Suzhou Senfeida Chemical Co., Ltd
(CAS:885280-38-6)(3-OXO-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER
sfd4318
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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