Cas no 145166-06-9 (tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate)

tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate structure
145166-06-9 structure
Product Name:tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CAS No:145166-06-9
MF:C11H21NO3
MW:215.289343595505
MDL:MFCD11042330
CID:135814
PubChem ID:329760397
Update Time:2024-11-04

tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl ((1S,2S)-2-hydroxycyclohexyl)carbamate
    • 2-(N-Bocamino)cyclohexanol
    • Carbamic acid,N-[(1S,2S)-2-hydroxycyclohexyl]-, 1,1-dimethylethyl ester
    • tert-Butyl N-((2S,1S)-2-hydroxycyclohexyl)carbamate
    • (1S,2S)-trans-N-Boc-2-aminocyclohexanol
    • tert-butyl (1S,2S)-2-hydroxycyclohexylcarbamate
    • tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
    • tert-Butyl [(1S,2S)-2-hydroxycyclohexyl]carbamate
    • PubChem19440
    • XVROWZPERFUOCE-IUCAKERBSA-N
    • SB17591
    • RL01821
    • (1S,2S)-2-tert-Butoxycarbonylamino-1-cyclohexanol
    • A850193
    • DTXSID40434168
    • Carbamic acid,N-[(1S,2S)-2-hydroxycyclohexyl]-,1,1-dimethylethyl ester
    • DS-2392
    • W13289
    • tert-butyl (1S,2S)-2-hydroxycyclohexylcarbamate;tert-Butyl ((1S,2S)-2-hydroxycyclohexyl)carbamate
    • 145166-06-9
    • AKOS016843103
    • CS-W008680
    • (1S,2S)-trans-N-Boc-2-aminocyclohexanol, 95%
    • AMY1170
    • MFCD11042330
    • EN300-3074337
    • 2-Methyl-2-propanyl [(1S,2S)-2-hydroxycyclohexyl]carbamate
    • SCHEMBL741312
    • Carbamic acid, N-[(1S,2S)-2-hydroxycyclohexyl]-, 1,1-dimethylethyl ester
    • TRANS-TERT-BUTYL (2-HYDROXYCYCLOHEXYL)CARBAMATE
    • (1S,2S)-1-(Boc-Amino)-2-hydroxycyclohexane
    • tert-Butyl((1S,2S)-2-hydroxycyclohexyl)carbamate
    • 1,1-Dimethylethyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate (ACI)
    • Carbamic acid, (2-hydroxycyclohexyl)-, 1,1-dimethylethyl ester, (1S-trans)- (ZCI)
    • Carbamic acid, [(1S,2S)-2-hydroxycyclohexyl]-, 1,1-dimethylethyl ester (9CI)
    • MDL: MFCD11042330
    • Inchi: 1S/C11H21NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9(8)13/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t8-,9-/m0/s1
    • InChI Key: XVROWZPERFUOCE-IUCAKERBSA-N
    • SMILES: O[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 215.15200
  • Monoisotopic Mass: 215.15214353g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 222
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 58.6
  • XLogP3: 1.6

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.066
  • Melting Point: No data available
  • Boiling Point: 337.714°C at 760 mmHg
  • Flash Point: 158.044°C
  • Refractive Index: 1.485
  • PSA: 58.56000
  • LogP: 2.20550
  • Vapor Pressure: 0.0±1.7 mmHg at 25°C

tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate Security Information

  • Symbol: GHS07 GHS09
  • Signal Word:Warning
  • Hazard Statement: H302-H400
  • Warning Statement: P273
  • Hazardous Material transportation number:UN 3077 9/PG 3
  • WGK Germany:3
  • Hazard Category Code: 22-50
  • Safety Instruction: S61
  • Hazardous Material Identification: Xn N
  • Safety Term:S61
  • Storage Condition:Sealed in dry,2-8°C
  • Risk Phrases:R22

tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate Pricemore >>

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tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate Production Method

Production Method 1

Reaction Conditions
Reference
Highly enantioselective direct organocatalytic α-chlorination of ketones
Marigo, Mauro; Bachmann, Stephan; Halland, Nis; Braunton, Alan; Jorgensen, Karl Anker, Angewandte Chemie, 2004, 43(41), 5507-5510

Production Method 2

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran
1.2 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol ;  6 h, 25 psi, rt
Reference
SAR and X-ray structures of enantiopure 1,2-cis-(1R,2S)-cyclopentyldiamine and cyclohexyldiamine derivatives as inhibitors of coagulation Factor Xa
Qiao, Jennifer X.; Chang, Chong-Hwan; Cheney, Daniel L.; Morin, Paul E.; Wang, Gren Z.; et al, Bioorganic & Medicinal Chemistry Letters, 2007, 17(16), 4419-4427

Production Method 3

Reaction Conditions
1.1 Reagents: Triacylglycerol lipase Solvents: Vinyl acetate
Reference
Enzymatic method of preparation of optically active trans-2-amino cyclohexanol derivatives
Ursini, A.; Maragni, P.; Bismara, C.; Tamburini, B., Synthetic Communications, 1999, 29(8), 1369-1377

Production Method 4

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ;  10 h, rt
Reference
Chemoenzymatic preparation of optically active trans- and cis-cyclohex-4-ene-1,2-diamine and trans-6-aminocyclohex-3-enol derivatives
Quijada, F. Javier; Rebolledo, Francisca; Gotor, Vicente, Tetrahedron, 2012, 68(37), 7670-7674

Production Method 5

Reaction Conditions
1.1 Reagents: Ammonium formate Catalysts: Palladium Solvents: Methanol
1.2 Solvents: Dichloromethane
Reference
Cycloalkanediamine derivatives as novel blood coagulation factor Xa inhibitors
Nagata, Tsutomu; Yoshino, Toshiharu; Haginoya, Noriyasu; Yoshikawa, Kenji; Isobe, Yumiko; et al, Bioorganic & Medicinal Chemistry Letters, 2007, 17(16), 4683-4688

Production Method 6

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ;  48 h, 4 atm, rt
Reference
Discovery and structure-activity relationships of 4-aminoquinazoline derivatives, a novel class of opioid receptor like-1 (ORL1) antagonists
Okano, Masahiko; Mito, Jun; Maruyama, Yasufumi; Masuda, Hirofumi; Niwa, Tomoko; et al, Bioorganic & Medicinal Chemistry, 2009, 17(1), 119-132

Production Method 7

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Platinum dioxide Solvents: Ethyl acetate ;  3.5 h, 35 - 40 psi, rt
1.2 -
Reference
Synthesis and Evaluation of (1S,2R/1R,2S)-Aminocyclohexylglycyl PNAs as Conformationally Preorganized PNA Analogues for DNA/RNA Recognition
Govindaraju, T.; Kumar, Vaijayanti A.; Ganesh, Krishna N., Journal of Organic Chemistry, 2004, 69(6), 1858-1865

tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate Raw materials

tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate Preparation Products

tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate Suppliers

Amadis Chemical Company Limited
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(CAS:145166-06-9)tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
Order Number:A850193
Stock Status:in Stock
Quantity:10g/25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 07:28
Price ($):178.0/348.0
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Amadis Chemical Company Limited
(CAS:145166-06-9)tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
A850193
Purity:99%/99%
Quantity:10g/25g
Price ($):178.0/348.0
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