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160232-08-6

Basic Information
CAS No.: 160232-08-6
Name: tert-Butyl [(1S,2R)-1-Benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamate
Article Data: 76
Molecular Structure:
Molecular Structure of 160232-08-6 (tert-Butyl [(1S,2R)-1-Benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamate)
Formula: C19H32N2O3
Molecular Weight: 336.475
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;
EINECS: 605-203-3
Density: 1.04 g/cm3
Melting Point: 145 °C
Boiling Point: 484.697 °C at 760 mmHg
Flash Point: 246.936 °C
Appearance: White solid
PSA: 70.59000
LogP: 3.51070
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
Multi-step reaction with 5 steps
1.1: p-TsOH*H2O / CH2Cl2
2.1: NaH / tetrahydrofuran
3.1: CuBr*SMe2 / 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
ConditionsYield
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
ConditionsYield
Multi-step reaction with 3 steps
1.1: CuBr*SMe2 / tetrahydrofuran
2.1: p-TsOH*H2O
2.2: KOH / methanol
3.1: 90 percent / propan-2-ol / 5 h / 50 °C
View Scheme
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    tert-Butyl [(1S,2R)-1-Benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamate

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  • tert-Butyl [(1S,2R)-1-Benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamate

  • Casno:

    160232-08-6

    tert-Butyl [(1S,2R)-1-Benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamate

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    *stable and better quality products*efficient and meticulous servicesAppearance:Powder Storage:Store in dry, cool and ventilated place Package:1kg/tin 5kg/tin 25kg/carton Application:Pharmaceutical raw materials, making injection powder oral agent Tr

    ASURE BIOCHEM Co., Ltd was established in March 2016. It is located in Hangzhou, a very beautiful city. It is a comprehensive chemical service provider with business scope coverin

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  • tert-Butyl ((2S,3R)-3-hydroxy-4-(isobutylamino)-1-phenylbutan-2-yl)carbamate

  • Casno:

    160232-08-6

    tert-Butyl ((2S,3R)-3-hydroxy-4-(isobutylamino)-1-phenylbutan-2-yl)carbamate

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

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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