N-CARBOBENZOXYAMINOACETONITRILE

Base Information

• Chemical Name: N-CARBOBENZOXYAMINOACETONITRILE
• CAS No.: 3589-41-1
• Molecular Formula: C10H10N2O2
• Molecular Weight: 190.202
• Hs Code.: 2926909090
• Mol file: 3589-41-1.mol

Synonyms:Carbamicacid, (cyanomethyl)-, benzyl ester (6CI,7CI,8CI);Carbamic acid,(cyanomethyl)-, phenylmethyl ester (9CI);(Cyanomethyl)carbamic acid benzylester;2-Benzyloxycarbonylaminoacetonitrile;Benzyl cyanomethylcarbamate;NSC54758;

Chemical Property of N-CARBOBENZOXYAMINOACETONITRILE

Chemical Property:

• Vapor Pressure: 7.24E-06mmHg at 25°C
• Melting Point: 61-63 °C(lit.)
• Refractive Index: 1.538
• Boiling Point: 376.4 °C at 760 mmHg
• Flash Point: 181.5 °C
• PSA: 62.12000
• Density: 1.181 g/cm³
• LogP: 1.82728
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)

Purity/Quality:

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

BenzylCyanomethylcarbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of N-CARBOBENZOXYAMINOACETONITRILE

There total 13 articles about N-CARBOBENZOXYAMINOACETONITRILE 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: 98.0%

N-(carbobenzyloxy)glycinamide (949-90-6) → phenylmethyl cyanomethylcarbamate (3589-41-1)

Guidance literature:

With palladium(II) trifluoroacetate; dichloroacetonitrile; water; In acetonitrile; at 60 ℃; for 3h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.9b01657

Reference yield: 97.0%

cyanomethylamine sulfate (151-63-3) + benzyl chloroformate (501-53-1,94274-21-2) → phenylmethyl cyanomethylcarbamate (3589-41-1)

Guidance literature:

With potassium hydrogencarbonate; In 1,4-dioxane; water; at 0 ℃;

DOI:10.1055/s-1987-27899

Reference yield: 95.35%

2-aminoacetonitrile hydrochloride (6011-14-9) + benzyl chloroformate (501-53-1,94274-21-2) → phenylmethyl cyanomethylcarbamate (3589-41-1)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; Cooling with ice;

upstream raw materials:

2-aminoacetonitrile hydrochloride

benzyl chloroformate

2-aminoacetonitrile

cyanomethylamine sulfate

Downstream raw materials:

(Benzyloxycarbonylamino)thioacetimidsaeure-propylester hydrochlorid

(Benzyloxycarbonylamino)thioacetimidsaeure-benzylester hydrochlorid

N-benzyloxycarbonyl-N-methylaminoacetonitrile

N-(Benzyloxycarbonyl)thioglycin-O-ethylester

Refernces

• 1、 -. "Preparation method and intermediate of benzodiazepine compound". Paragraph 0057-0061. . Retrieved 2020/09/16.
• 2、 -. "1H-PYRAZOLO[4,3-B]PYRIDINES AS PDE1 INHIBITORS". Paragraph 0500-0501. . Retrieved 2019/07/10.