2R-(t-Boc)amino-1,4-dichloro-3S-hydroxybutane

Base Information

• Chemical Name: 2R-(t-Boc)amino-1,4-dichloro-3S-hydroxybutane
• CAS No.: 326479-99-6
• Molecular Formula: C9H17Cl2NO3
• Molecular Weight: 258.145
• DSSTox Substance ID: DTXSID20463810
• Wikidata: Q82288858
• Mol file: 326479-99-6.mol

Synonyms:2R-(t-Boc)amino-1,4-dichloro-3S-hydroxybutane;326479-99-6;tert-butyl N-[(2R,3S)-1,4-dichloro-3-hydroxybutan-2-yl]carbamate;SCHEMBL7167204;DTXSID20463810;AKOS030242295;J-018812;2(R)-(t-butyloxycarbonyl)amino-1,4-dichloro-3(S)-hydroxybutane

Chemical Property of 2R-(t-Boc)amino-1,4-dichloro-3S-hydroxybutane

Chemical Property:

• Vapor Pressure: 1.54E-07mmHg at 25°C
• Boiling Point: 385.7°C at 760 mmHg
• PKA: 11.20±0.46(Predicted)
• Flash Point: 187°C
• PSA: 62.05000
• Density: 1.226g/cm³
• LogP: 1.92260
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 257.0585488
• Heavy Atom Count: 15
• Complexity: 206

Purity/Quality:

97% ^*data from raw suppliers

2R-(t-Boc)amino-1,4-dichloro-3S-hydroxybutane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2R-(t-Boc)amino-1,4-dichloro-3S-hydroxybutane

There total 3 articles about 2R-(t-Boc)amino-1,4-dichloro-3S-hydroxybutane 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: 75.0%

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

Guidance literature:

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + (2S,3R)-3-Amino-1,4-dichloro-butan-2-ol → 2(R)-((tert-butyloxycarbonyl)amino)-1,4-dichloro-3(S)-hydroxybutane (326479-99-6)

Guidance literature:

(2S,3R)-3-Amino-1,4-dichloro-butan-2-ol; With hydrogenchloride; In methanol; at 20 ℃; for 16h;

di-tert-butyl dicarbonate; With triethylamine; In tetrahydrofuran; water; at 0 ℃; for 16h; Further stages.;

DOI:10.1021/ol016147s

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + (2S,3R)-3-Azido-1,4-dichloro-butan-2-ol → 2(R)-((tert-butyloxycarbonyl)amino)-1,4-dichloro-3(S)-hydroxybutane (326479-99-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate;

DOI:10.1016/S0040-4039(98)01453-1

upstream raw materials:

di-tert-butyl dicarbonate

Downstream raw materials:

2(S)-t-butyldimethylsilyloxy-3(R)-(t-butyloxycarbonyl)amino-1,4-dichlorobutane

tert-butyl ((3S,4R)-4-hydroxypyrrolidin-3-yl)carbamate

4-nitro-N-((2R(syn),3S)-2-hydroxy-4-phenyl-3-((S)-tetrahydrofuran-3-yloxycarbonylamino)-butyl)-N-isobutylbenzenesulfonamide

(3S)-t-butyldimethylsilyloxy-(2R)-(t-butyloxycarbonyl)amino-4-chloro-1-phenylthiobutane

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