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| CAS No.: | 102089-74-7 |
|---|---|
| Name: | (R)-N-(tert-Butoxycarbonyl)-2-phenylglycinol |
| Article Data: | 83 |
| Molecular Structure: | |
|
|
|
| Formula: | C13H19NO3 |
| Molecular Weight: | 237.299 |
| Synonyms: | N-Boc-D-phenylglycinol;tert-Butyl ((1R)-2-hydroxy-1-phenylethyl)carbamate;Boc-D-Phg-OL;Carbamicacid, (2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester, (R)-;Carbamic acid,[(1R)-2-hydroxy-1-phenylethyl]-, 1,1-dimethylethyl ester (9CI);(R)-1,1-Dimethylethyl (2-hydroxy-1-phenylethyl)carbamate;(R)-2-[(N-tert-Butoxycarbonyl)amino]-2-phenylethanol;(R)-N-(tert-Butoxycarbonyl)-2-phenylglycinol;N-BOC-(R)-phenylglycinol; |
| EINECS: | 600-273-1 |
| Density: | 1.102 g/cm3 |
| Melting Point: | 137-139 °C(lit.) |
| Boiling Point: | 382.4 °C at 760 mmHg |
| Flash Point: | 185 °C |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25-25-24 |
| PSA: | 58.56000 |
| LogP: | 2.63560 |
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Chemistry
Molecule structure of BOC-D-Phenylglycinol (CAS NO.102089-74-7):
IUPAC Name: tert-Butyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
Molecular Weight: 237.29486 g/mol
Molecular Formula: C13H19NO3
Density: 1.102 g/cm3
Melting Point: 137-139 °C(lit.)
Boiling Point: 382.361 °C at 760 mmHg
Flash Point: 185.046 °C
Index of Refraction: 1.523
Molar Refractivity: 65.84 cm3
Molar Volume: 215.385 cm3
Surface Tension: 41.287 dyne/cm
Enthalpy of Vaporization: 66.534 kJ/mol
XLogP3-AA: 1.8
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 5
Tautomer Count: 2
Exact Mass: 237.136493
MonoIsotopic Mass: 237.136493
Topological Polar Surface Area: 58.6
Heavy Atom Count: 17
Canonical SMILES: CC(C)(C)OC(=O)NC(CO)C1=CC=CC=C1
Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CO)C1=CC=CC=C1
InChI: InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h4-8,11,15H,9H2,1-3H3,(H,14,16)/t11-/m0/s1
InChIKey: IBDIOGYTZBKRGI-NSHDSACASA-N
Product Categories: Alcohol Aldehyde & acid series; chiral; Amino Acids
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-25-24
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
S25:Avoid contact with eyes.
S24:Avoid contact with skin.
WGK Germany: 3
Specification
BOC-D-Phenylglycinol (CAS NO.102089-74-7) is also named as Carbamic acid, N-[(1R)-2-hydroxy-1-phenylethyl]-, 1,1-dimethylethyl ester ; tert-Butyl [(1R)-2-hydroxy-1-phenylethyl]carbamate ; (−)-N-Boc-D-alpha-phenylglycinol ; (R)-(-)-2-(Boc-amino)-2-phenylethanol ; (R)-(−)-2-(Boc-amino)-2-phenylethanol ; (R)-N-(tert-Butoxycarbonyl)-2-phenylglycinol . BOC-D-Phenylglycinol (CAS NO.102089-74-7) is white to light yellow crystal powder.