(3S)-3-Amino-N-cyclopropyl-2-hydroxyhexanamide hydrochloride CAS#: 850252-34-5; 凯望编码 (ChemWhat Code): 1246366

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名(3S)-3-Amino-N-cyclopropyl-2-hydroxyhexanamide hydrochloride
IUPAC Name(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide;hydrochloride
分子结构(3S)-3-Amino-N-cyclopropyl-2-hydroxyhexanamide hydrochloride CAS 850252-34-5
CAS编号 850252-34-5
MDL NumberMMFCD21606965
别名850252-34-5
(3S)-3-Amino-N-cyclopropyl-2-hydroxyhexanamide hydrochloride
(3S)-3-Amino-N-cyclopropyl-2-hydroxy-hexanamide hydrochloride
MFCD21606965
(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide HCl
(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide;hydrochloride
SCHEMBL328872
DTXSID20735524
LMSDLVWKLIICSU-JPPWUZRISA-N
(3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXY-HEXANAMIDE HCL
BCP09099
BCP14020
CS-M1844
AKOS016001527
AKOS016016045
Hexanamide, 3-amino-N-cyclopropyl-2-hydroxy-, hydrochloride (1:1), (3S)-
AC-26316
CS-13257
A863820
(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide HCl salt
(3S)-3-Amino-N-cyclopropyl-2-hydroxyhexanamide hydrochloride (1:1)
(3S)-3-Amino-N-cyclopropyl-2-hydroxyhexanamide–hydrogen chloride (1/1)
分子式C9H19ClN2O2
分子量222.71
InChIInChI=1S/C9H18N2O2.ClH/c1-2-3-7(10)8(12)9(13)11-6-4-5-6;/h6-8,12H,2-5,10H2,1H3,(H,11,13);1H/t7-,8?;/m0./s1
InChI KeyLMSDLVWKLIICSU-JPPWUZRISA-N 
Isomeric SMILESCCC[C@@H](C(C(=O)NC1CC1)O)N.Cl 

Physical Data

AppearanceWhite to off-white (Solid)

Spectra

No data availability

Route of Synthesis (ROS)

Route of Synthesis (ROS) of (3S)-3-Amino-N-cyclopropyl-2-hydroxyhexanamide hydrochloride CAS 850252-34-5
Route of Synthesis (ROS) of (3S)-3-Amino-N-cyclopropyl-2-hydroxyhexanamide hydrochloride CAS 850252-34-5
ConditionsYield
With N-ethyl-N,N-diisopropylamine; HATU In dichloromethane; N,N-dimethyl-formamide at 20℃; for 1.5h;

Experimental Procedure
Step 6: Preparation of (2S,4R)-tert-butyl 2-((3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-ylcarbamoyl)-4-(5-(pyridin-2-yl)thieno[3,2-b]pyridin-7-yloxy)pyrrolidine-1-carboxylate; To a mixture of (2S,4R)-1-(tert-butoxycarbonyl)-4-(5-(pyridin-2-yl)thieno[3,2-b]pyridin-7-yloxy)pyrrolidine-2-carboxylic acid (150 mg, 340,mol), 3S-amino-N-cyclopropyl-2-hydroxyhexyramide hydrochloride (see Reference A above) (76 mg, 1 equiv.) and HATU (155 mg, 408 μmol, 1.2 equiv.) in CH2Cl2 (8 mL) and DMF (3 mL) was added iPr2NEt (0.24 mL, 1.39 mmol, 4 equiv.). After 90 min at room temperature the reaction mixture was diluted with EtOAc (50 mL) and washed with 1M HCl (2×), sat. aqueous NaHCO3 and brine. The organic phase was dried (MgSO4) and concentrated under reduced pressure to give a yellow film (230 mg, quant).		100%

Safety and Hazards

GHS Hazard Statements Not Classified

Other Data

TransportationUnder room temperature away from light
StorageUnder the room temperature and away from light
Shelf Life1 year
Market Price
Druglikeness
Lipinski rules component
分子量222.715
logP0.442
HBA4
HBD3
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)375.35
Rotatable Bond (RotB)6
Matching Veber Rules2
Use Pattern
(3S)-3-Amino-N-cyclopropyl-2-hydroxyhexanamide hydrochloride CAS#: 850252-34-5 is an important intermediate in the synthesis of Telaprevir. Telaprevir is a protease inhibitor used in the treatment of hepatitis C virus (HCV) infection.

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Caming Pharmaceutical Limited http://www.caming.com/
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