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Structure

Thiodiimidotricarbonicacid([(ho)c(o)nh]2c(S)),1,5-bis(1,1-dimethylethyl)ester

CAS
145013-05-4
Catalog Number
ACM145013054
Category
Other Products
Molecular Weight
276.35
Molecular Formula
C11H20N2O4S

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Specification

Synonyms
N,N-Di-Boc-thiourea, N,N-Bis-tert-butoxycarbonylthiourea, 145013-05-4, N,N-Di-(tert-butoxycarbonyl)thiourea, DIBOC-THIOUREA, AC1NQCN0, ACMC-1C1VL, N,N-BIS-BOC-THIOUREA, 531820_ALDRICH, MolPort-003-936-013, ANW-20895, ZINC02506786, AKOS015911976, AK-47474, BP-12428, KB-258390, W3165, N,N-DI-(T-BUTOXY CARBONYL) THIOUREA, N,N inverted exclamation marka-Di-Boc-thiourea, I14-35827
IUPAC Name
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylcarbamothioyl]carbamate
Canonical SMILES
CC(C)(C)OC(=O)NC(=S)NC(=O)OC(C)(C)C
InChI Key
CSOJECDGWHHWRS-UHFFFAOYSA-N
Melting Point
131-135ºC(lit.)
Density
1.152g/cm³
Exact Mass
276.11400
H-Bond Acceptor
5
H-Bond Donor
2

Upstream Synthesis Route 1

  • 24424-99-5
  • 17356-08-0
  • 145013-05-4

Reference: [1] Chemistry - A European Journal, 2016, vol. 22, # 9, p. 3009 - 3018

Upstream Synthesis Route 2

  • 34619-03-9
  • 17356-08-0
  • 145013-05-4

Reference: [1] Tetrahedron, 2011, vol. 67, # 25, p. 4601 - 4611

Upstream Synthesis Route 3

  • 24424-99-5
  • 145013-05-4

Reference: [1] Patent: US2003/36542, 2003, A1,

Downstream Synthesis Route 1

  • 145013-05-4
  • 164470-64-8
  • 41651-87-0

Reference: [1]Tetrahedron,1997,vol. 53,p. 6697 - 6705

Downstream Synthesis Route 2

  • 1949-51-5
  • 145013-05-4
  • 183430-93-5

Reference: [1]Journal of Medicinal Chemistry,1997,vol. 40,p. 4030 - 4052

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

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