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Home> Encyclopedia > Hot Product Listed N   > N-Boc-L-Phenylalaninol
66605-57-0 structure

N-Boc-L-Phenylalaninol

Iupac Name:tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate
CAS No.:66605-57-0
Molecular Weight:251.326
Molecular Formula:C14H21NO3 (isomer)
Names and Identifiers
Synonyms

((s)-1-benzyl-2-hydroxyethyl)carbamic acid t-butyl ester ((S)-1-Benzyl-2-hydroxyethyl)carbamic acid tert-butyl ester ((s)-1-hydroxymethyl-2-phenyl-ethyl)-carbamic acid tert-butyl ester (2s)-2-(tert-butoxycarbonyl)amino-3-phenyl-1-propanol (2s)-2-(tert-butoxycarbonylamino)-3-phenyl-1-propanol (2s)-2-t-butyloxycarbonylamino-3-phenyl-1-propanol (2S)-N-tert-Butoxycarbonyl-1-hydroxy-3-phenyl-2-propanamine (r)-n-(tert-butoxycarbonyl)-beta-phenylalaninol (s)-(-)-2-(t-butoxycarbonylamino)-3-phenyl-1-propanol (s)-(-)-2-(tert-butoxycarbonylamino)-3-phenyl-1-propanol (s)-(-)-2-(tertbutoxycarbonylamino)-3-phenyl-1-propanol (S)-(-)-2-[(tert-Butyloxycarbonyl)amino]-3-phenyl-1-propanol (s)-(-)-boc-phenylalaninol (s)-(1-hydroxymethyl-2-phenyl-ethyl)-carbamic acid tert-butyl ester (s)-2-(boc-amino)-3-phenyl-1-propanol (s)-2-(boc-amino)-3-phenyl-1-propanol, 98% (s)-2-(tert-butoxycarbonylamino)-3-phenyl-1-propanol (s)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-2-phenylmethyl-1-ethanol (s)-2-tert-butoxycarbonylamino-3-phenylpropanol (s)-n-(tert-butoxycarbonyl)-beta-phenylalaninol (s)-n-(tert-butoxycarbonyl)-phenylalaninol (s)-n-bocphenylalaninol 1,1-Dimethylethyl[(1S)-2-hydroxy-1-(phenylmethyl)ethyl]carbamate AB0007187 AC-135 AC1Q1MUA AJ-39680 ak-45284 AKOS005259786 AMBOTZBAL1009 AX8005671 B2604 bbv-44994675 BC205562 boc-l-phenylalaninol boc-phech2oh boc-phe-ol BR-45284 carbamic acid, [1-(hydroxymethyl)-2-phenylethyl]-, 1,1-dimethylethyl ester, (s)- Carbamic acid, [1-(hydroxymethyl)-2-phenylethyl]-, 1,1-dimethylethyl ester,(S)- Carbamicacid, [(1S)-1-(hydroxymethyl)-2-phenylethyl]-, 1,1-dimethylethyl ester (9CI) CB-191 CJ-09359 CS-M0537 DS-1113 DTXSID20369969 FC1220 FT-0082152 J-640372 J-640373 LDKDMDVMMCXTMO-LBPRGKRZSA-N M03448 mfcd00076976 MOLPORT-001-793-709 n-((t-butyloxy)carbonyl)-phenylalaninol n-(tert.-butyloxycarbonyl)-l-phenylalaninol n-(tert-butoxycarbonyl)-l-phenylalaninol N-(tert-Butoxycarbonyl)phenylalaninol n-[(1s)-2-hydroxy-1-benzylethyl](tert-butoxy)carboxamide n-boc-phenylalaninol n-t-boc-l-phenylalaninol n-tert-butoxycarbonyl-(s)-1-benzyl-1-aminoethan-2-ol OR006660 OR114868 OR316043 Q-101622 RL04540 RTR-022512 SC-06174 SCHEMBL271855 ST2414680 SY014914 tert.-butyl-[(2s)-1-hydroxy-3-phenylpropane-2-yl]carbamate tert-butyl (1s)-1-benzyl-2-hydroxyethylcarbamate tert-butyl (s)-(1-hydroxy-3-phenylpropan-2-yl)carbamate tert-butyl 1-benzyl-2-hydroxyethylcarbamate # ZINC2555041

Inchi
InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17)/t12-/m0/s1
InChkey
LDKDMDVMMCXTMO-LBPRGKRZSA-N
Canonical Smiles
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CO
Isomers Smiles
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)CO
Properties
Appearance
white to light yellow crystal powder
Density
1.085
Melting Point
94-96℃
Boiling Point
410.1 °C at 760 mmHg
Flash Point
201.8 °C
Alpha
-27 o (C=1 IN CHLOROFORM)
Solubility
Insoluble
HS Code
2924299090
Storage temp
-15°C
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
Safety

The Risk Statements information of?N-Boc-L-Phenylalaninol (CAS NO.66605-57-0):
36/37/38:? Irritating to eyes, respiratory system and skin?
The Safety Statements information of?N-Boc-L-Phenylalaninol (CAS NO.66605-57-0):
24/25:? Avoid contact with skin and eyes?
WGK Germany: 3

Specification

?N-Boc-L-Phenylalaninol , with CAS number of 66605-57-0, can be called Carbamic acid, [1-(hydroxymethyl)-2-phenylethyl]-, 1,1-dimethylethyl ester, (s)- ; carbamic acid, N-[(1S)-2-hydroxy-1-(phenylmethyl)ethyl]-, 1,1-dimethylethyl ester ; tert-Butyl [(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate ; (R)-2-(Boc-amino)-3-phenyl-1-propanol ; (S)-(-)-(tert-Butoxycarbonylamino)-3-phenyl-1-propanol ; (S)-(-)-2-(tert-Butoxycarbonylamino)-3-phenyl-1-propanol ; (S)-2-(Boc-amino)-3-phenyl-1-propanol .

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Precursor and Product
Computational chemical data
  • Molecular Weight:251.326g/mol
  • Molecular Formula:C14H21NO3
  • Compound Is Canonicalized:True
  • Exact Mass:251.152
  • Monoisotopic Mass:251.152
  • Complexity:254
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:58.6A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceByMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADGzhmAYyCILABgCI AiBCGAACAAAgAAAIiIAIAIkKMCKAkRGMYAAklgAYiAeQwKAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-371-86658258
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