tert-Butyl ((2S,3S)-1-(4-(benzyloxy)phenyl)-4-chloro-3-hydroxybutan-2-yl)carbamate

Base Information

• Chemical Name: tert-Butyl ((2S,3S)-1-(4-(benzyloxy)phenyl)-4-chloro-3-hydroxybutan-2-yl)carbamate
• CAS No.: 174801-33-3
• Molecular Formula: C22H28 Cl N O4
• Molecular Weight: 405.922
• DSSTox Substance ID: DTXSID20443596
• Wikidata: Q82261487
• Mol file: 174801-33-3.mol

Synonyms:174801-33-3;TERT-BUTYL (2S,3S)-1-(4-(BENZYLOXY)PHENYL)-4-CHLORO-3-HYDROXYBUTAN-2-YLCARBAMATE;tert-Butyl ((2S,3S)-1-(4-(benzyloxy)phenyl)-4-chloro-3-hydroxybutan-2-yl)carbamate;tert-butyl N-[(2S,3S)-4-chloro-3-hydroxy-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate;Carbamicacid,N-[(1S,2S)-3-chloro-2-hydroxy-1-[[4-(phenylmethoxy)phenyl]methyl]propyl]-,1,1-dimethylethyl ester;tert-Butyl {(2S,3S)-1-[4-(benzyloxy)phenyl]-4-chloro-3-hydroxybutan-2-yl}carbamate;SCHEMBL6158094;DTXSID20443596;MFCD04035565;SC5042;BS-49403;A3864;CS-0162357;(2S,3S)-N-tert-butoxycarbonyl-3-amino-4-(4-benzyloxyphenyl)-1-chloro-2-hydroxybutane;t-Butyl (2S,3S)-1-(4-(benzyloxy)phenyl)-4-chloro-3-hydroxybutan-2-ylcarbamate;tert-Butyl((2S,3S)-1-(4-(benzyloxy)phenyl)-4-chloro-3-hydroxybutan-2-yl)carbamate

Chemical Property of tert-Butyl ((2S,3S)-1-(4-(benzyloxy)phenyl)-4-chloro-3-hydroxybutan-2-yl)carbamate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 578.651oC at 760 mmHg
• Flash Point: 303.758oC
• PSA: 71.28000
• Density: 1.178g/cm3
• LogP: 4.50550
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 405.1706861
• Heavy Atom Count: 28
• Complexity: 454

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl((2S,3S)-1-(4-(benzyloxy)phenyl)-4-chloro-3-hydroxybutan-2-yl)carbamate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(CCl)O
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)[C@@H](CCl)O

Technology Process of tert-Butyl ((2S,3S)-1-(4-(benzyloxy)phenyl)-4-chloro-3-hydroxybutan-2-yl)carbamate

There total 2 articles about tert-Butyl ((2S,3S)-1-(4-(benzyloxy)phenyl)-4-chloro-3-hydroxybutan-2-yl)carbamate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

(S)-N-[3-Chloro-2-oxo-1-[[4-(phenylmethoxy)phenyl]methyl]propyl]carbamic acid 1,1-dimethylethyl ester (152438-62-5) → (2S,3S)-N-tert-butoxycarbonyl-3-amino-4-(4-benzyloxyphenyl)-1-chloro-2-hydroxybutane (174801-33-3,1059189-63-7)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; ethanol;

DOI:10.1016/j.bmcl.2005.05.129

Reference yield:

ethyl N-{[(1,1-dimethylethyl)oxy]carbonyl}-O-(phenylmethyl)-L-tyrosinate (127132-32-5) → (2S,3S)-N-tert-butoxycarbonyl-3-amino-4-(4-benzyloxyphenyl)-1-chloro-2-hydroxybutane (174801-33-3,1059189-63-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / LDA / tetrahydrofuran / -78 °C

2: NaBH₄ / ethanol; tetrahydrofuran

With sodium tetrahydroborate; lithium diisopropyl amide; In tetrahydrofuran; ethanol;

DOI:10.1016/j.bmcl.2005.05.129

Reference yield: 98.0%

(2S,3S)-N-tert-butoxycarbonyl-3-amino-4-(4-benzyloxyphenyl)-1-chloro-2-hydroxybutane (174801-33-3,1059189-63-7) → (2S,3S)-N-tert-butoxycarbonyl-3-amino-4-(4-hydroxyphenyl)-1-chloro-2-hydroxybutane (620176-91-2)

Guidance literature:

With hydrogen; 20% palladium hydroxide on carbon; In ethanol; at 25 - 40 ℃; for 6h; under 760.051 Torr;

upstream raw materials:

(S)-N-[3-Chloro-2-oxo-1-[[4-(phenylmethoxy)phenyl]methyl]propyl]carbamic acid 1,1-dimethylethyl ester

ethyl N-{[(1,1-dimethylethyl)oxy]carbonyl}-O-(phenylmethyl)-L-tyrosinate

Downstream raw materials:

tert-butyl (1S)-2-[4-(benzyloxy)phenyl]-1-[(2S)-oxiranyl]ethylcarbamate

tert-butyl (1S,2R)-1-[4-(benzyloxy)benzyl]-2-hydroxy-3-(isobutylamino)propylcarbamate

N-{(2R,3S)-3-Amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutyl}-N-isobutyl-1,3-benzodioxole-5-sulfonamide

t-butyl-N((1S,2R)-1-(4-benzyloxy-benzyl)-3-i-butyl-[(3,4-methylenedioxyphenyl)sulfonyl]-amino-2-hydroxypropyl)-carbamate

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