tert-Butyl Methyl Iminodicarboxylate

Base Information

• Chemical Name: tert-Butyl Methyl Iminodicarboxylate
• CAS No.: 66389-76-2
• Molecular Formula: C₇H₁₃NO₄
• Molecular Weight: 175.185
• Hs Code.: 2924297099
• DSSTox Substance ID: DTXSID60467195
• Nikkaji Number: J569.515E
• Mol file: 66389-76-2.mol

Synonyms:tert-Butyl Methyl Iminodicarboxylate;66389-76-2;Tert-butyl N-methoxycarbonylcarbamate;Iminodicarboxylic Acid tert-Butyl Methyl Ester;tert-butyl N-(methoxycarbonyl)carbamate;methyl N-[(tert-butoxy)carbonyl]carbamate;Methyl 2-methyl-2-propanyl imidodicarbonate;SCHEMBL3509747;DTXSID60467195;tert-butyl methyl iminodicarbonate;MFCD01321176;AKOS015853672;AS-65427;CS-0133809;FT-0693985;I0510;tert-Butyl methyl imidodicarbonate, AldrichCPR;T72799;[Methyloxycarbonyl]carbamic acid tert-butyl ester;IMINODICARBOXYLICACIDTERT-BUTYLMETHYLESTER

Chemical Property of tert-Butyl Methyl Iminodicarboxylate

Chemical Property:

• Vapor Pressure: 0.0658mmHg at 25°C
• Melting Point: 79 °C
• Boiling Point: 230.4°C at 760 mmHg
• PKA: 7.99±0.46(Predicted)
• Flash Point: 93.2°C
• PSA: 64.63000
• Density: 1.095g/cm³
• LogP: 1.66840
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 175.08445790
• Heavy Atom Count: 12
• Complexity: 182

Purity/Quality:

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

tert-Butyl Methyl Iminodicarboxylate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 22-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(=O)OC

Technology Process of tert-Butyl Methyl Iminodicarboxylate

There total 3 articles about tert-Butyl Methyl Iminodicarboxylate 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: 70.1%

methoxycarbonyl isocyanate (5843-42-5) + tert-butyl alcohol (75-65-0) → tert-butyl methyl iminodicarboxylate (66389-76-2)

Guidance literature:

In dichloromethane; at 20 ℃;

Reference yield:

C15H21NO5 (152898-96-9) → tert-butyl methyl iminodicarboxylate (66389-76-2)

Guidance literature:

With ammonium cerium(IV) nitrate; In water; acetonitrile; for 1h; Yield given;

DOI:10.1021/jo00077a068

Reference yield:

methanol (67-56-1) + oxalamic Acid Tert-butyl Ester (35454-04-7) → tert-butyl methyl iminodicarboxylate (66389-76-2)

Guidance literature:

In tetrahydrofuran; Heating;

upstream raw materials:

methanol

oxalamic Acid Tert-butyl Ester

C₁₅H₂₁NO₅

methoxycarbonyl isocyanate

Downstream raw materials:

3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methylpropanoic acid

N-tert-butoxycarbonyloxy-3-phenylpropylamine

tert-butyl sec-butylcarbamate