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Name	Carbamic acid,N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]-,1,1-dimethylethyl ester	EINECS	605-203-3
CAS No.	160232-08-6	Density	1.04 g/cm³
PSA	70.59000	LogP	3.51070
Solubility	N/A	Melting Point	145 °C
Formula	C₁₉H₃₂N₂O₃	Boiling Point	484.697 °C at 760 mmHg
Molecular Weight	336.475	Flash Point	246.936 °C
Transport Information	N/A	Appearance	White solid
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Carbamicacid, [(1S,2R)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]-,1,1-dimethylethyl ester (9CI);Carbamic acid,[2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]-,1,1-dimethylethyl ester, [R-(R,S)]-;tert-Butyl[(1S,2R)-1-benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamate;N-[(1S,2R)-2-Hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]carbamic acid 1,1-Dimethylethyl Ester;	Article Data	76

Carbamic acid,N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]-,1,1-dimethylethyl ester Synthetic route

: 78-81-9
isobutylamine

: 98760-08-8, 98818-34-9, 98818-35-0, 103127-56-6, 98737-29-2
(1-oxiranyl-2-phenylethyl)carbamic acid tert-butyl ester

: 160232-08-6
(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions

Conditions	Yield
In isopropyl alcohol at 20℃;	100%
In isopropyl alcohol at 60℃; for 6h;	100%
In isopropyl alcohol at 60℃; Inert atmosphere;	100%

: 78-81-9
isobutylamine

: 165727-45-7
tert-butyl ((2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl)carbamate

: 160232-08-6
(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions

Conditions	Yield
With potassium hydroxide In ethanol at 15 - 20℃; Large scale;	97.3%
With sodium carbonate In water at 60 - 65℃; for 3h;	105 g
With sodium carbonate In water at 60 - 65℃; for 3h;	105 g

: 78-81-9
isobutylamine

: 98760-08-8
(2R,3S)-3-[N-(tert-butyloxycarbonyl)amino]-1,2-epoxy-4-phenylbutane

: 160232-08-6
(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions

Conditions	Yield
In isopropyl alcohol at 20 - 30℃; Solvent;	94.67%
In isopropyl alcohol at 80℃; for 2.5h;	93%
In isopropyl alcohol at 80℃; for 2.5h;

: 78-84-2
isobutyraldehyde

: 162536-42-7
(1S,2R)-(3-amino-1-benzyl-2-hydroxy-propyl)-carbamic acid tert butyl ester

: 160232-08-6
(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions

Conditions	Yield
With sodium tris(acetoxy)borohydride In ethanol at 0 - 20℃; for 5h; Reagent/catalyst;	81.6%
With hydrogen; platinum(IV) oxide In methanol under 7600 Torr; for 2h; Ambient temperature;	80%

: 78-81-9
isobutylamine

: 98760-08-8
(2R,3S)-3-[N-(tert-butyloxycarbonyl)amino]-1,2-epoxy-4-phenylbutane

A: tert-butyl [(1S,2R)-1-benzyl-2-hydroxy-3-(isobutylamino)propyl]-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]carbamate

B: 160232-08-6
(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions

Conditions	Yield
In toluene at 20 - 30℃; Solvent;	A n/a B 80%

: 78-81-9
isobutylamine

: 160232-08-6
(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions

Conditions	Yield
With 3S-(N-t-butoxycarbonyl)amino-2R-hydroxy-4-phenylbut-1-yl toluenesulfonate In isopropyl alcohol; toluene at 80 - 85℃; for 1.5h;	76.8%

: 188404-01-5
C19H31N3O4

: 160232-08-6
(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions

Conditions	Yield
With hydrogen; nickel In tetrahydrofuran under 760 Torr; Ambient temperature;	64%

: 326479-99-6
2(R)-((tert-butyloxycarbonyl)amino)-1,4-dichloro-3(S)-hydroxybutane

: 160232-08-6
(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: p-TsOHH2O / CH2Cl2 2.1: NaH / tetrahydrofuran 3.1: CuBrSMe2 / tetrahydrofuran 4.1: p-TsOH*H2O 4.2: KOH / methanol 5.1: 90 percent / propan-2-ol / 5 h / 50 °C View Scheme
Multi-step reaction with 5 steps 1: 100 percent / imidazole; DMAP / dimethylformamide / 12 h / 50 °C 2: 100 percent / NaH / tetrahydrofuran / 5 h / 0 °C 3: 75 percent / CuBr*Me2S / toluene; tetrahydrofuran / -78 - -20 °C 4: Bu4NF / tetrahydrofuran 5: 90 percent / propan-2-ol / 5 h / 50 °C View Scheme
Multi-step reaction with 5 steps 1.1: 100 percent / imidazole; DMAP / dimethylformamide / 12 h / 50 °C 2.1: 100 percent / NaH / tetrahydrofuran / 5 h / 0 °C 3.1: 82 percent / Et3N / methanol / 18 h / 20 °C 4.1: TBAF / tetrahydrofuran / 0.67 h / 20 °C 4.2: 75 percent / KOH / methanol / 2 h / 20 °C 5.1: 90 percent / propan-2-ol / 5 h / 50 °C View Scheme

: 326480-01-7
N-t-butyloxycarbonyl-2(S)-(1(S)-t-butyldimethylsilyloxy-2-chloroethyl)aziridine

: 160232-08-6
(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 75 percent / CuBr*Me2S / toluene; tetrahydrofuran / -78 - -20 °C 2: Bu4NF / tetrahydrofuran 3: 90 percent / propan-2-ol / 5 h / 50 °C View Scheme
Multi-step reaction with 3 steps 1.1: 82 percent / Et3N / methanol / 18 h / 20 °C 2.1: TBAF / tetrahydrofuran / 0.67 h / 20 °C 2.2: 75 percent / KOH / methanol / 2 h / 20 °C 3.1: 90 percent / propan-2-ol / 5 h / 50 °C View Scheme

: 357604-37-6
(S)-2-[(S)-2-Chloro-1-(tetrahydro-pyran-2-yloxy)-ethyl]-aziridine-1-carboxylic acid tert-butyl ester

: 160232-08-6
(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: CuBrSMe2 / tetrahydrofuran 2.1: p-TsOHH2O 2.2: KOH / methanol 3.1: 90 percent / propan-2-ol / 5 h / 50 °C View Scheme

Carbamic acid,N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]-,1,1-dimethylethyl ester Specification

The Carbamic acid,N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]-,1,1-dimethylethyl ester with CAS registry number of 160232-08-6 is also known as tert-Butyl [(2S,3R)-3-hydroxy-4-(isobutylamino)-1-phenylbutan-2-yl]carbamate. The systematic name is tert-Butyl {(1S,2R)-1-benzyl-2-hydroxy-3-[(2-methylpropyl)amino]propyl}carbamat. This chemical is a white solid and it belongs to product categories of Aromatics; Chiral Reagents. In addition, the formula is C₁₉H₃₂N₂O₃ and the molecular weight is 336.47.

Physical properties about Carbamic acid,N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]-,1,1-dimethylethyl ester are: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 3; (8)ACD/KOC (pH 7.4): 20; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 70.59Å²; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 97.105 cm³; (15)Molar Volume: 323.623 cm³; (16)Polarizability: 38.495×10^-24cm³; (17)Surface Tension: 38.499 dyne/cm; (18)Density: 1.04 g/cm³; (19)Flash Point: 246.936 °C; (20)Enthalpy of Vaporization: 79.003 kJ/mol; (21)Boiling Point: 484.697 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(OC(C)(C)C)N[C@@H](Cc1ccccc1)[C@H](O)CNCC(C)C
2. InChI: InChI=1/C19H32N2O3/c1-14(2)12-20-13-17(22)16(11-15-9-7-6-8-10-15)21-18(23)24-19(3,4)5/h6-10,14,16-17,20,22H,11-13H2,1-5H3,(H,21,23)/t16-,17+/m0/s1
3. InChIKey: NVEPLQDORJSXRO-DLBZAZTEBN
4. Std. InChI: InChI=1S/C19H32N2O3/c1-14(2)12-20-13-17(22)16(11-15-9-7-6-8-10-15)21-18(23)24-19(3,4)5/h6-10,14,16-17,20,22H,11-13H2,1-5H3,(H,21,23)/t16-,17+/m0/s1
5. Std. InChIKey: NVEPLQDORJSXRO-DLBZAZTESA-N

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