tert-Butyl 2-((diphenylmethylene)amino)acetate

Base Information

• Chemical Name: tert-Butyl 2-((diphenylmethylene)amino)acetate
• CAS No.: 81477-94-3
• Molecular Formula: C19H21NO2
• Molecular Weight: 295.381
• Hs Code.: 29163990
• European Community (EC) Number: 805-438-3
• DSSTox Substance ID: DTXSID00350810
• Nikkaji Number: J534.082I
• Wikidata: Q69756837
• Mol file: 81477-94-3.mol

Synonyms:81477-94-3;N-(Diphenylmethylene)glycine tert-butyl ester;tert-Butyl 2-((diphenylmethylene)amino)acetate;Diphenylmethylene-Glycine t-butyl ester;N-(Diphenylmethylene)glycerine tert-butyl ester;tert-butyl 2-(diphenylmethyleneamino)acetate;tert-butyl 2-(benzhydrylideneamino)acetate;MFCD00134280;(Diphenylmethyleneamino)acetic Acid tert-Butyl Ester;Glycine, N-(diphenylmethylene)-, 1,1-dimethylethyl ester;N-(diphenylmethylene)glycine t-butyl ester;tert-butyl N-(diphenylmethylidene)glycinate;N-(Diphenylmethylene)glycinetert-butylester;tert-Butyl(diphenylmethyleneamino)acetate;tert-Butyl (Diphenylmethyleneamino)acetate;N-(Diphenylmethylene)glycine, t-Butyl Ester;DIPHENYLMETHYLENE GLYCINE T-BUTYL ESTER;tert-butyl 2-[(diphenylmethylidene)amino]acetate;SCHEMBL240725;DTXSID00350810;YSHDPXQDVKNPKA-UHFFFAOYSA-N;HY-Y1778;tert-butylglycine benzophenone imine;FD1097;AKOS005146357;tert-butyl(benzhydrylideneamino)acetate;AC-5708;AM62777;CS-W008874;N-diphenylmethyleneglycine t butyl ester;tert-butyl n(diphenylmethylene)glycinate;tert-butyl N-(diphenylmethylene)glycinate;AS-14721;BP-12730;N-(Diphenylmethylene)glycine t-butylester;SY017491;t-butyl 2-(diphenylmethyleneamino)acetate;tert-Butyl 2-(diphenymethyleneamino)acetate;benzhydrylideneaminoacetic acid t-butyl ester;D2322;FT-0600273;tert-butyl [(diphenylmethylene)amino]acetate;A19203;EN300-126937;1,1-dimethylethyl N-(diphenylmethylidene)glycinate;(Benzhydrylidene-amino)-acetic acid tert-butyl ester;J-523166;N-(Diphenylmethylene)glycine tert-butyl ester, 98%

Chemical Property of tert-Butyl 2-((diphenylmethylene)amino)acetate

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: 6.7E-06mmHg at 25°C
• Melting Point: 51-53 °C(lit.)
• Refractive Index: 1.529
• Boiling Point: 377.5 °C at 760 mmHg
• PKA: 2.31±0.50(Predicted)
• Flash Point: 134.5 °C
• PSA: 38.66000
• Density: 1 g/cm³
• LogP: 3.86570
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: Insoluble in water.
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 295.157228913
• Heavy Atom Count: 22
• Complexity: 363

Purity/Quality:

99% ^*data from raw suppliers

N-(Diphenylmethylene)glycine,t-ButylEster ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)CN=C(C1=CC=CC=C1)C2=CC=CC=C2
• Uses: suzuki reaction N-(Diphenylmethylene)glycine tert-butyl ester is a useful dye for biological research purposes. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.

Technology Process of tert-Butyl 2-((diphenylmethylene)amino)acetate

There total 12 articles about tert-Butyl 2-((diphenylmethylene)amino)acetate 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: 100.0%

Benzophenone imine (1013-88-3) + glycine tert-butyl ester hydrochloride (27532-96-3) → N-(diphenylmethylene)glycine tert-butyl ester (81477-94-3)

Guidance literature:

In dichloromethane; at 20 ℃;

DOI:10.1021/acs.orglett.5b02175

Reference yield: 99.0%

Benzophenone imine (1013-88-3) + bromoacetic acid tert-butyl ester (5292-43-3) → N-(diphenylmethylene)glycine tert-butyl ester (81477-94-3)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 70 ℃; for 16h;

Reference yield: 98.0%

Benzophenone imine (1013-88-3) + Glycine tert-butyl ester (6456-74-2) → N-(diphenylmethylene)glycine tert-butyl ester (81477-94-3)

Guidance literature:

In dichloromethane; at 20 ℃; for 24h;

DOI:10.1002/ejoc.200300410

upstream raw materials:

Benzophenone imine

glycine tert-butyl ester hydrochloride

spiropentyl bromide

tert-butyl-acetyloxydiphenylmethyleneaminoacetate

Downstream raw materials:

(R)-tert-butyl 2-[(diphenylmethylene)amino]pent-4-enoate

tert-butyl (S)-2-[(diphenylmethylene)amino]pent-4-enoate

(S)-tert-butyl 2-(diphenylmethyleneamino)-3-(naphthalen-2-yl)propanoate

(S)-tert-butyl 2-(diphenylmethyleneamino)-2-((S)-3-oxocyclohexyl)acetate

Refernces

• 1、 -. "Preparation method of benzophenone imine glycine ester". Paragraph 0024-0039. . Retrieved 2021/06/09.
• 2、 Al Temimi, Abbas H. K.,White, Paul B.,Mulders, Marcus J. M.,Van Der Linden, Nicole G. A.,Blaauw, Richard H.,Wegert, Anita,Rutjes, Floris P. J. T.,Mecinovi?, Jasmin. "Methylation of geometrically constrained lysine analogues by histone lysine methyltransferases". . p. 3039 - 3042. Retrieved 2020/03/18.