1,3-Di-Boc-2-methylisothiourea

• CAS: 107819-90-9
• Catalog Number: ACM107819909
• Category: Other Products
• Molecular Weight: 290.38g/mol
• Molecular Formula: C12H22N2O4S
• Synonyms: 1,3-Di-Boc-2-methylisothiourea;107819-90-9;N,N'-Bis(tert-butoxycarbonyl)-S-methylisothiourea;1,3-Bis(tert-butoxycarbonyl)-2-methyl-2-thiopseudourea;1,3-bis(tert-butoxycarbonyl)-2-methylthiopseudourea;tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-methylsulfanylmethylidene]carbamate;322474-21-5;1,3-bis(t-butoxycarbonyl)-2-methyl-2-thiopseudourea;N,N'-Di-Boc-S-methylisothiourea;1,3-DI-BOC-2-METHYLISOTHIOURE;MFCD00239356;S-methyl-N,N'-bis(tert-butoxycarbonyl)isothiourea;ACMC-2098xn;SCHEMBL133918;N,N'-diBoc-2-Methyl-isothiourea;1,3-di-Boc-2-methyl isothiourea;BCP29815;ZINC2561338;ANW-15849;N,N'-bis(boc)-S-methyl-isothiourea;AKOS030228147;Methyl N,N'-Di-Boc-carbamimidothioate;ACN-054478;1,3-bis-boc-2-methyl-2-thiopseudourea;AK144615;SY057450;DB-059663;B4535;N,N'-di-t-butoxycarbonyl-S-methylisothiourea;N,N'-di-tert-butoxycarbonyl-S-methylisothiourea;N,N'-Di-Boc-carbamimidothioic Acid Methyl Ester;1,3-bis(tert-butoxycarbonyl)-2-methylisothiourea;N,N'-di-tert-butyloxycarbonyl-S-methylisothiourea;1,3-Bis(tert-butoxycarbonyl)-2-Methyl-2-thiopseud;1,3-bis-t-butoxycarbonyl-2-methyl-2-thiopseudourea;1,3-Di-(tert-butoxycarbonyl)-2-methyl-isothiourea;N,N'-bis-(tert.-butoxycarbonyl)-S-methylisothiourea;1,3-bis(tertbutoxycarbonyl)-2-methyl-2-thiopseudourea;Methyl N,N'-Bis(tert-butoxycarbonyl)carbamimidothioate;N,N'-bis(tert-butyloxycarbonyl)-S-methyl-isothiourea;N,N'-Bis(tert-butoxycarbonyl)carbamimidothioic Acid Methyl Ester;bis(1,1-dimethylethyl) [(Z)-(methylsulphanyl)methylylidene]biscarbamate;tert-butyl-[(tert-butoxycarbonyl)amino](methylsulfanyl)methylidenecarbamate;[[[(1,1-dimethylethoxy)carbonyl]amino]-(methylthio)methylene]-carbamic acid, 1,1-dimethylethyl ester
• IUPAC Name: tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-methylsulfanylmethylidene]carbamate
• Canonical SMILES: CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)SC
• InChI: InChI=1S/C12H22N2O4S/c1-11(2,3)17-9(15)13-8(19-7)14-10(16)18-12(4,5)6/h1-7H3,(H,13,14,15,16)
• InChI Key: UQJXXWHAJKRDKY-UHFFFAOYSA-N
• Complexity: 367
• Covalently-Bonded Unit Count: 1
• Exact Mass: 290.13002836g/mol
• Heavy Atom Count: 19
• Hydrogen Bond Acceptor Count: 5
• Monoisotopic Mass: 290.13002836g/mol
• Rotatable Bond Count: 6
• Topological Polar Surface Area: 102Ų
• XLogP3: 3.7

Synthetic Use

Upstream Synthesis Route 1

• 24424-99-5

• 107819-90-9

Reference: [1] Bioorganic and Medicinal Chemistry, 2018, vol. 26, # 14, p. 3939 - 3946

Upstream Synthesis Route 2

• 24424-99-5
• 867-44-7

• 107819-90-9

Reference: [1] Journal of Organic Chemistry, 1987, vol. 52, # 9, p. 1700 - 1703

Upstream Synthesis Route 3

• 24424-99-5
• 2986-19-8

• 107819-90-9

Reference: [1] Patent: US6514964, 2003, B1,

Upstream Synthesis Route 4

• 24424-99-5
• 867-44-7

• 107819-90-9

Reference: [1]Journal of Organic Chemistry,1987,vol. 52,p. 1700 - 1703
[2]Patent: US5914319,1999,A
[3]Patent: US5705487,1998,A
[4]Patent: US5710130,1998,A
[5]Patent: US5726159,1998,A

Downstream Synthesis Route 1

• 2640-58-6
• 107819-90-9

• 83585-01-7

Reference: [1]Tetrahedron Letters,1992,vol. 33,p. 6541 - 6542

* For details of the synthesis route, please refer to the original source to ensure accuracy.