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Phenylcarbamic acid propargyl ester, also known as propargyl phenylcarbamate, is an organic compound with the chemical formula C10H9NO2. It is a derivative of phenylcarbamic acid, where the hydrogen atom of the carbamic acid group is replaced by a propargyl group (-C≡CH). Phenylcarbamic acid propargyl ester is a colorless liquid with a pungent odor and is soluble in organic solvents. It is primarily used as an intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other organic compounds. Due to its reactivity, it is important to handle Phenylcarbamic acid propargyl ester with care, as it may be toxic and harmful to the environment.

5416-67-1

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5416-67-1 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5416-67-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,1 and 6 respectively; the second part has 2 digits, 6 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 5416-67:
(6*5)+(5*4)+(4*1)+(3*6)+(2*6)+(1*7)=91
91 % 10 = 1
So 5416-67-1 is a valid CAS Registry Number.
InChI:InChI=1/C10H9NO2/c1-2-8-13-10(12)11-9-6-4-3-5-7-9/h1,3-7H,8H2,(H,11,12)

5416-67-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name Propargyl N-phenylcarbamate

1.2 Other means of identification

Product number -
Other names Phenylcarbamic acid 2-propynyl ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5416-67-1 SDS

5416-67-1Relevant academic research and scientific papers

Comparison between Conventional and Nonconventional Methods for the Synthesis of Some 2-Oxazolidinone Derivatives and Preliminary Investigation of Their Inhibitory Activity Against Certain Protein Kinases

Ziane,Mazari,Safer,Sad El Hachemi Amar,Ruchaud,Baratte,Bach

, p. 1061 - 1069 (2019/09/06)

A series of propargyl and allyl carbamates were prepared directly from propargyl and allyl alcohols and phenyl or cyclohexyl isocyanate or indirectly by generating the isocyanates in situ from the corresponding Cbz-protected amines. The obtained carbamate

An efficient one-pot synthesis of: N, N ′-disubstituted ureas and carbamates from N -acylbenzotriazoles

Singh, Anoop S.,Kumar, Dhananjay,Mishra, Nidhi,Tiwari, Vinod K.

, p. 84512 - 84522 (2016/10/12)

A facile and high-yielding one-pot synthesis of carbamates and N,N′-disubstituted symmetrical ureas from N-acylbenzotriazoles has been devised. It is believed that, the intermediate acyl-azide undergo Curtius rearrangement and in different solvents gives different products i.e. carbamates in alcohols and N,N′-disubstituted symmetrical urea in THF.

Mild and high-yielding molybdenum(VI) dichloride dioxide-catalyzed formation of Mono-, Di-, Tri-, and tetracarbamates from alcohols and aromatic or aliphatic isocyanates

Stock, Christian,Brueckner, Reinhard

, p. 2309 - 2330 (2012/11/07)

Both molybdenum(VI) dichloride dioxide (MoO2Cl2) and its dimethylformamide (DMF) complex catalyze the addition of alcohols to isocyanates giving carbamates. Most additions proceeded to completion at room temperature within 20 min using as little as 0.1 mol% of the catalyst when working on a 1-mmol scale or just 100 ppm working on a 20-mmol scale. Sterically encumbered substrates reacted to completion when 1 mol% of the catalyst was employed. Diols, triols, and tetraols reacted with monoisocyanates likewise, as did monofunctional alcohols and diisocyanates. These pairings furnished di-, tri-, tetra-, and dicarbamates, respectively. Reactants, which were poorly soluble in CH2Cl2 at room temperature required elevating the temperature and possibly choosing a higher-boiling solvent (ClCH 2CH2Cl, DMF) as well. Additions of diols to diisocyanates were feasible, too, giving polycarbamates as we presume. Copyright

Exceptionally active catalysts for the formation of carbamates from alcohols and isocyanates: Molybdenum(VI) dichloride dioxide and its DMF complex

Stock, Christian,Brückner, Reinhard

experimental part, p. 2429 - 2434 (2010/12/18)

Small amounts of MoO2Cl2 or MoO2Cl 2(DMF)2 catalyze carbamate formation from an alcohol and isocyanates: 0.1 mol% of the respective additive allow primary, secondary or tertiary alcohols to add to aliphatic or aromatic isocyanates of varied steric hindrance within 20 minutes at room temperature. Typically the corresponding carbamate resulted in 100% yield. Only particularly hindered substrates required 1.0 mol% of the catalyst while as little as 0.01% sufficed for the phenylcarbamoylation of menthol. Catalytic amounts of DMAP accelerate carbamate formation from certain alcohols and isocyanates, too. Georg Thieme Verlag Stuttgart · New York.

Regioselective 1,3-dipolar cycloaddition reactions of 4-methylene-2- oxazolidinones with benzonitrile oxide

Newton, Rebecca,Savage, G. Paul

, p. 432 - 437 (2008/09/21)

Substituted 4-methylene-2-oxazolidinones were prepared in two steps by cyclizing O-propargyl carbamates, which in turn were prepared from propargyl alcohols and phenyl isocyanate. The 4-methylene-2-oxazolidinones underwent a 1,3-dipolar cycloaddition reac

Base catalyzed cyclization of N-aryl and N-alkyl-O-propargyl carbamates to 4-alkylidene-2-oxazolidinones

Ramesh, Ramapanicker,Chandrasekaran, Yogesh,Megha, Rajendran,Chandrasekaran, Srinivasan

, p. 9153 - 9162 (2008/02/10)

The base catalyzed cyclization of N-aryl and N-alkyl-O-propargyl carbamates is studied in detail. The effect of various bases and solvents on the efficacy of this cyclization reaction is analyzed and a new base-solvent system (LiOH in DMF) for effective cyclization of these carbamates is reported. A number of differentially substituted O-propargyl carbamates were cyclized to the corresponding 2-oxazolidinones under these conditions. The reaction conditions reported here are mild and no side reactions were observed in any of the substrates studied. A propargyl carbonate group was unaffected during the course of the cyclization of the O-propargyl carbamate group. The propargyl carbamates were prepared from the corresponding alkyl or aryl amines and the corresponding propargyl chloroformate, resulting in oxazolidinones diversely substituted at the nitrogen atom. N-Aryl-O-propargyl carbamates cyclized readily to the corresponding oxazolidinones with LiOH in DMF, whereas N-alkyl-O-propargyl carbamates reacted slowly under the same conditions. O-Propargyl carbamates substituted at the 1-position tend to cyclize faster whereas those substituted at 3-position cyclize considerably slower than the unsubstituted carbamates.

Convenient synthesis of 4-methylene-2-oxazolidinones and 4-methylenetetrahydro-1,3-oxazin-2-ones via transition-metal catalyzed intramolecular addition of nitrogen atom to actylenic triple bond

Tamaru,Kimura,Tanaka,Kure,Yoshida

, p. 2838 - 2849 (2007/10/02)

2-Propynyl tosylcarbamates 1 undergo cyclization smoothly by the catalysis of CuCl/Et3N or AgNCO/Et3N to furnish 4-methylene-2-oxazolidinones 2 in good yields. The similar cyclization of the N-acyl derivatives of 1 (PhCO, MeCO, EtOCO, etc.) is catalyzed effectively by AgNCO/t-BuOK. These reactions accommodate a variety of substituents at C1 and C3 of 2-propyn-1-ol and provide (Z)-2 as single stereoisomers. The scope of the cyclization of 3-butynyl carbamates is rather limited, and in general only N-tosyl derivatives of terminally unsubstituted 3-butyn-1-ols undergo cyclization to give 4-methylenetetrahydro-1,3-oxazin-2-ones in synthetically useful yields by the catalysis of AgNCO/Et3N or AgNCO/t-BuOK.

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