2-(tert-Butylthio)ethanamine

Base Information

• Chemical Name: 2-(tert-Butylthio)ethanamine
• CAS No.: 22572-38-9
• Molecular Formula: C6H15NS
• Molecular Weight: 133.258
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID90379070
• Nikkaji Number: J293.421C
• Wikidata: Q82168734
• Mol file: 22572-38-9.mol

Synonyms:2-(tert-Butylthio)ethanamine;22572-38-9;2-tert-butylsulfanylethanamine;2-(tert-butylsulfanyl)ethan-1-amine;2-(tert-butylsulfanyl)ethanamine;2-tert-butylsulfanylethylamine;SCHEMBL2351897;DTXSID90379070;Benzothiazole, 6-chloro-2-ethyl-;MFCD00235190;STK825981;AKOS000220524;AT13945;2-(TERT-BUTYLTHIO)ETHAN-1-AMINE;2-(tert-Butylthio)ethanamine, AldrichCPR;LS-09256;BB 0254158;CS-0205895;FT-0764655;EN300-110537

Chemical Property of 2-(tert-Butylthio)ethanamine

Chemical Property:

• Vapor Pressure: 0.696mmHg at 25°C
• Boiling Point: 185.5oC at 760 mmHg
• Flash Point: 66oC
• PSA: 51.32000
• Density: 0.917g/cm3
• LogP: 2.17710
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 133.09252066
• Heavy Atom Count: 8
• Complexity: 56

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(Tert-Butlythio)ethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)SCCN

Technology Process of 2-(tert-Butylthio)ethanamine

There total 1 articles about 2-(tert-Butylthio)ethanamine 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:

sulfuric acid mono-(2-amino-ethyl ester) (926-39-6) + 2-methylpropan-2-thiol (75-66-1) → 2-(tert-butylsulfanyl)ethan-1-amine (22572-38-9)

Guidance literature:

With sodium hydroxide;

Reference yield: 64.0%

2-(tert-butylsulfanyl)ethan-1-amine (22572-38-9) + 4-(but-2-yn-1-yloxy)-N-[2-(tert-butylthio)ethyl]-N-{[4-(dimethylamino)-6-formylpyridin-2-yl]methyl}-benzenesulfonamide → 4-(but-2-yn-1-yloxy)-N-[2-(tert-butylthio)ethyl]-N-{[6-({[2-(tert-butylthio)ethyl]amino}methyl)-4-(dimethylamino)-pyridin-2-yl]methyl}benzenesulfonamide

Guidance literature:

2-(tert-butylsulfanyl)ethan-1-amine; 4-(but-2-yn-1-yloxy)-N-[2-(tert-butylthio)ethyl]-N-{[4-(dimethylamino)-6-formylpyridin-2-yl]methyl}-benzenesulfonamide; In methanol; at 50 ℃; for 25h; Molecular sieve;

With sodium cyanoborohydride; In methanol; at 20 ℃; for 24h; Molecular sieve;

DOI:10.1248/cpb.c21-00701

Reference yield:

1-(6-phenylhexyl)-4-piperidone + Rink-isonitrile resin + Boc-DL-Leu-OH (13139-15-6,53296-34-7) + 2-(tert-butylsulfanyl)ethan-1-amine (22572-38-9) → 1-(2-tert-butylsulfanyl-ethyl)-3-isobutyl-9-(6-phenyl-hexyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione

Guidance literature:

1-(6-phenylhexyl)-4-piperidone; Rink-isonitrile resin; Boc-DL-Leu-OH; 2-(t-butylthio)ethan-1-amine; In tetrahydrofuran; methanol; chloroform; at 65 ℃; for 18h;

With 2,6-dimethylpyridine; trimethylsilyl trifluoromethanesulfonate; In dichloromethane; at 20 ℃; for 0.5h;

With acetic acid; In toluene; at 90 ℃; for 16h;

DOI:10.1021/jm060051s

upstream raw materials:

sulfuric acid mono-(2-amino-ethyl ester)

2-methylpropan-2-thiol