3-[(Tert-butoxy)carbonyl]amino-1-propanethiol

Base Information

• Chemical Name: 3-[(Tert-butoxy)carbonyl]amino-1-propanethiol
• CAS No.: 93472-93-6
• Molecular Formula: C8H17 N O2 S
• Molecular Weight: 191.294
• European Community (EC) Number: 837-695-2
• Nikkaji Number: J1.860.997E
• Mol file: 93472-93-6.mol

Synonyms:93472-93-6;3-[(tert-butoxy)carbonyl]amino-1-propanethiol;tert-Butyl (3-mercaptopropyl)carbamate;TERT-BUTYL N-(3-SULFANYLPROPYL)CARBAMATE;tert-butyl 3-mercaptopropylcarbamate;C8H17NO2S;N-boc-1-aminopropane-3-thiol;SCHEMBL11052379;Carbamic acid, (3-mercaptopropyl)-, 1,1-dimethylethyl ester (9CI);tert-Butyl(3-mercaptopropyl)carbamate;DB-228190;EN300-317509;G72366;2-Methyl-2-propanyl (3-sulfanylpropyl)carbamate

Chemical Property of 3-[(Tert-butoxy)carbonyl]amino-1-propanethiol

Chemical Property:

• Boiling Point: 285.5±23.0 °C(Predicted)
• PKA: 10.29±0.10(Predicted)
• PSA: 77.13000
• Density: 1.023±0.06 g/cm3(Predicted)
• LogP: 2.22190
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 191.09799996
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCCS

Technology Process of 3-[(Tert-butoxy)carbonyl]amino-1-propanethiol

There total 3 articles about 3-[(Tert-butoxy)carbonyl]amino-1-propanethiol 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:

N-tert-butoxycarbonyl-3-aminopropanol (58885-58-8) → 3-[(tert-butoxy)carbonyl]amino-1-propanethiol (93472-93-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 64 percent / TEA / tetrahydrofuran / 0.5 h / 20 °C

2: 16 percent / potassium thioacetate / ethanol / 16 h / 80 °C

With TEA; potassium thioacetate; In tetrahydrofuran; ethanol;

DOI:10.1021/ja0124313

Reference yield:

N-tert-butoxycarbonyl-3-aminopropanol (58885-58-8) → 3-[(tert-butoxy)carbonyl]amino-1-propanethiol (93472-93-6)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine / dichloromethane / 1 h / 20 °C

2: N,N-dimethyl-formamide / 18 h / 80 °C

3: sodium hydroxide; methanol / 1 h / 20 °C

With methanol; triethylamine; sodium hydroxide; In dichloromethane; N,N-dimethyl-formamide;

Reference yield:

N-tert-butoxycarbonyl-3-aminopropanol (58885-58-8) → 3-[(tert-butoxy)carbonyl]amino-1-propanethiol (93472-93-6) + di-3-[(tert-butoxy)carbonyl]amino-1-propyl disulfide (434313-81-2)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 1.5 h / 0 °C

2: tiolacetic acid; potassium carbonate / methanol / 12 h / 20 °C

With potassium carbonate; triethylamine; tiolacetic acid; In methanol; dichloromethane;

DOI:10.2174/15701786113109990003

upstream raw materials:

N-tert-butoxycarbonyl-3-aminopropanol

Downstream raw materials:

{3-[4-(4-methoxy-benzyloxy)-quinolin-2-ylsulfanyl]-propyl}-carbamic acid tert-butyl ester

C₂₄H₃₄N₄O₄S₂

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