Bis(2,6-diisopropylphenyl)carbodiimide

Base Information

• Chemical Name: Bis(2,6-diisopropylphenyl)carbodiimide
• CAS No.: 2162-74-5
• Deprecated CAS: 85800-79-9,1009809-93-1,1702284-28-3,1801605-64-0,2364331-99-5,1009809-93-1
• Molecular Formula: C25H34N2
• Molecular Weight: 362.558
• Hs Code.: 29213000
• European Community (EC) Number: 218-487-5
• UNII: YPK27Z98PL
• DSSTox Substance ID: DTXSID5051862
• Nikkaji Number: J299.128D
• Wikidata: Q27894368
• Mol file: 2162-74-5.mol

Synonyms:Bis(2,6-diisopropylphenyl)carbodiimide;2162-74-5;N,N'-Methanediylidenebis(2,6-diisopropylaniline);Staboxol 1;Carbo D;(2,6-diisopropylphenyl)carbodiimide;YPK27Z98PL;DTXSID5051862;2,2',6,6'-Tetraisopropyldiphenylcarbodiimide;C25H34N2;EINECS 218-487-5;MFCD00082211;N,N'-Methanetetraylbis(2,6-bis(1-methylethyl)benzenamine);Benzenamine, N,N'-methanetetraylbis(2,6-bis(1-methylethyl)-;Carbodiimide, bis(2,6-diisopropylphenyl)-;N,N'-bis[2,6-bis(propan-2-yl)phenyl]methanediimine;Staboxol;Benzenamine, N,N'-methanetetraylbis[2,6-bis(1-methylethyl)-;n,n'-bis(2,6-diisopropylphenyl)carbodiimide;N,N'-bis[2,6-di(propan-2-yl)phenyl]methanediimine;Maybridge1_004202;UNII-YPK27Z98PL;SCHEMBL134760;HMS553G24;AMY10377;AKOS015915473;CS-O-02330;bis(2,6-di-2-propylphenyl)carbodiimide;AS-10072;LS-28354;SY035749;B2756;CS-0154311;FT-0654584;BIS(2,6-DIISOPROPYLPHENYL)-CARBODIIMIDE;EC 218-487-5;EN300-256163;O12007;A815542;W-109755;Carbodiimide, bis(2,6-diisopropylphenyl)- (7CI,8CI);N,N/'-bis[2,6-di(propan-2-yl)phenyl]methanediimine;N,N\'-bis[2,6-di(propan-2-yl)phenyl]methanediimine;Q27894368;N-{N-[2,6-bis(propan-2-yl)phenyl]carboximidoyl}-2,6-bis(propan-2-yl)aniline

Chemical Property of Bis(2,6-diisopropylphenyl)carbodiimide

Chemical Property:

• Appearance/Colour: White to off-white crystalline powder
• Vapor Pressure: 7.92E-09mmHg at 25°C
• Melting Point: 51 °C
• Refractive Index: 1.528
• Boiling Point: 477.699 °C at 760 mmHg
• Flash Point: 235.604 °C
• PSA: 24.72000
• Density: 0.953 g/cm³
• LogP: 8.31730
• Storage Temp.: 2-8°C
• Water Solubility.: 50μg/L at 20℃
• XLogP3: 9.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 362.272199093
• Heavy Atom Count: 27
• Complexity: 419

Purity/Quality:

99%, ^*data from raw suppliers

N,N''-Bis[2,6-di(propan-2-yl)phenyl]methanediamine ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N=C=NC2=C(C=CC=C2C(C)C)C(C)C

Technology Process of Bis(2,6-diisopropylphenyl)carbodiimide

There total 8 articles about Bis(2,6-diisopropylphenyl)carbodiimide 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: 95.0%

N,N'-bis(2,6-diisopropylphenyl)thiourea (25348-97-4) → N,N'-bis(2,6-diisopropylphenyl)carbodiimide (2162-74-5)

Guidance literature:

With bis(trichloromethyl) carbonate; sodium hydrogencarbonate; In ethyl acetate; at 20 ℃; for 0.25h;

DOI:10.1055/s-0028-1087563

Reference yield: 86.0%

carbon monoxide (201230-82-2) + C21H44CoNP3 → N,N'-bis(2,6-diisopropylphenyl)carbodiimide (2162-74-5)

Guidance literature:

In toluene; at 20 ℃; for 0.166667h; under 760.051 Torr; Mechanism;

DOI:10.1021/acs.inorgchem.7b00941

Reference yield: 78.0%

2,6-diisopropylphenyl isocyanate (28178-42-9) → N,N'-bis(2,6-diisopropylphenyl)carbodiimide (2162-74-5)

Guidance literature:

With 3,4-dimethyl-1-phenyl-3-phospholene 1-oxide; In xylene; for 12h; Heating;

upstream raw materials:

2,6-diisopropylphenyl isocyanate

2,5-dihydro-3-methyl-1-phenyl-1H-phosphole 1-oxide

N,N'-bis(2,6-diisopropylphenyl)thiourea

2,6-diisopropylbenzenamine

Downstream raw materials:

N¹,N²-Bis(2,6-diisopropylphenyl)-3-propiolamidin

N-(2,6-diisopropylphenyl) acetamide

2,6-diisopropylphenyl isocyanate

N-(2,6-diisopropylphenyl)butanamide

Refernces

• 1、 Findlater, Michael,Hill, Nicholas J.,Cowley, Alan H.. "Synthesis and structure of two new (guanidinate)boron dichlorides and their attempted conversion to boron(i) derivatives". . p. 4419 - 4423. Retrieved 2008.
• 2、 Chen, Yuan,Fuyue, Liuting,Wang, Gangqiang,Wang, Hang,Lu, Chun,Guo, Haibing,St. Amant, Chiara,Sun, Shaofa,Xing, Yalan. "Synthesis of 1,2,4-oxadiazolidines via [3+2] cycloaddition of nitrones with carbodiimides". supporting information. p. 4329 - 4332. Retrieved 2019/03/19.
• 3、 Peddarao, Thota,Baishya, Ashim,Barman, Milan Kr.,Kumar, Ajay,Nembenna, Sharanappa. "Metal-free access of bulky: N, N ′-diarylcarbodiimides and their reduction: Bulky N, N ′-diarylformamidines". . p. 7627 - 7636. Retrieved 2016/09/12.