N,N'-di-tert-Butylcarbodiimide

Base Information

• Chemical Name: N,N'-di-tert-Butylcarbodiimide
• CAS No.: 691-24-7
• Molecular Formula: C9H18N2
• Molecular Weight: 154.255
• Hs Code.: 2921199090
• European Community (EC) Number: 211-719-6
• DSSTox Substance ID: DTXSID00219155
• Nikkaji Number: J150.103H
• Mol file: 691-24-7.mol

Synonyms:N,N'-di-tert-Butylcarbodiimide;691-24-7;N,N-DI-TERT-BUTYLCARBODIIMIDE;Di-tert-butylcarbodiimide;EINECS 211-719-6;tert-Butyl[(tert-butylimino)methylidene]amine;tert-butyl-(tert-butylimino-methylene)-amine;N,N'-ditert-butylmethanediimine;2-Propanamine, N,N'-methanetetraylbis(2-methyl-;2-Propanamine, N,N'-methanetetraylbis[2-methyl-;MFCD00010231;di-t-butylcarbodiimide;SCHEMBL194603;1,3-di-tert-butyl carbodiimide;N,N inverted exclamation marka-Di-tert-butylcarbodiimide;IDVWLLCLTVBSCS-UHFFFAOYSA-;DTXSID00219155;N,N\'-ditert-butylmethanediimine;CC(C)(C)N=C=NC(C)(C)C;AKOS015915414;N,N'-Di-tert-butylcarbodiimide, 99%;AS-77970;CS-0122588;D5347;FT-0606726;EN300-7702106;A836360;J-670016;J-801015;W-104642;N,N'-Di-tert-butylcarbodiimide, purum, >=99.0% (GC)

Chemical Property of N,N'-di-tert-Butylcarbodiimide

Chemical Property:

• Melting Point: 35 °C
• Refractive Index: n20/D 1.429
• Boiling Point: 160.6 °C at 760 mmHg
• Flash Point: 95 °F
• PSA: 24.72000
• Density: 0.8 g/cm³
• LogP: 2.75730
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 154.146998583
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

N,N''-Di-tert-butylcarbodiimide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)N=C=NC(C)(C)C
• Uses: N,N′-Di-tert-butylcarbodiimide can be used:As a reagent for the guanylation of aryl amines catalyzed by lanthanum amides.To prepare dichloroimidazolidine-4,5-dione by reacting with oxalyl chloride, which is a key intermediate for the synthesis of N,N′-diamidocarbenes.To prepare the iridium complex of benzamidine named Ir(FMeppy)2(N,N′-di-tert-butyl-4-methyl-benzamidine).

Technology Process of N,N'-di-tert-Butylcarbodiimide

There total 35 articles about N,N'-di-tert-Butylcarbodiimide 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: 99.0%

2,4-di-tert-butyl-1,3-bis-tert-butylimino-1λ4,3λ4-[1,3,2,4]ditelluradiazetidine + Tert-butyl isocyanate (1609-86-5) → 1,3-di-tert-butylcarbodiimide (691-24-7) + 2,4-di-tert-butyl-1-oxo-1λ4-[1,2,4]telluradiazetidin-3-one

Guidance literature:

In tetrahydrofuran; hexane; at 23 ℃; for 1.5h;

DOI:10.1039/b004137h

Reference yield: 94.0%

N,N-di-tert-butylthiourea (4041-95-6) → 1,3-di-tert-butylcarbodiimide (691-24-7)

Guidance literature:

With sodium hypochlorite; sodium hydroxide; In benzene; at 60 - 65 ℃; for 4h; Temperature; Large scale;

Reference yield: 92.0%

N,N-di-tert-butylthiourea (4041-95-6) → 2-hydroxypyridin (142-08-5) + 1,3-di-tert-butylcarbodiimide (691-24-7)

Guidance literature:

With di-2-pyridyl thionocarbonate; dmap; In acetonitrile; for 6h; Ambient temperature;

DOI:10.1016/S0040-4039(00)98578-2

upstream raw materials:

N,N-di-tert-butylthiourea

N,N'-Di-tert.-butyl-isothioharnstoff-S-methylaether

N-(1,3,2-dioxaboryl-2-yl)N-phenyl-N'-t-butylurea

N,N'-di-tert-butyldiaziridinone

Downstream raw materials:

C₁₅H₂₄N₆O₄

2-(1,3-di-tert-butyl-2,5-dioxoimidazolidin-4-yl)malonic acid diethyl ester

iron bis(N,N'-di-tert-butylacetamidinate)

1,3-di-tert-butyl-2-(2-fluorophenyl)guanidine

Refernces

• 1、 -. "Method of producing N,N'-ditertiary butyl dicarbodiimide by thiourea method". Paragraph 0026-0040. . Retrieved 2019/03/08.
• 2、 Palomero, Orhi Esarte,Jones, Richard A.. "1,1′-Dicarbodiimidoferrocenes: Synthesis, Characterization, and Group IV 1,1′-Bisguanidinateferrocene Complexes". . p. 2689 - 2698. Retrieved 2019/07/04.