But-2-yne-1,4-diyl bis(phenylcarbamate)

Base Information

Chemical Name:But-2-yne-1,4-diyl bis(phenylcarbamate)
CAS No.:21840-67-5
Molecular Formula:C18H16 N2 O4
Molecular Weight:324.336
Hs Code.:
European Community (EC) Number:653-079-4
NSC Number:86307,62437
DSSTox Substance ID:DTXSID70289628
Nikkaji Number:J2.246.027G
Wikidata:Q82027014
Mol file:21840-67-5.mol

Synonyms:but-2-yne-1,4-diyl bis(phenylcarbamate);21840-67-5;NSC86307;DTXSID70289628;NSC62437;NSC-62437;NSC-86307;AKOS024333281;2-BUTYNE-1,4-DIOL DICARBANILATE

Suppliers and Price of But-2-yne-1,4-diyl bis(phenylcarbamate)

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of But-2-yne-1,4-diyl bis(phenylcarbamate)

Chemical Property:

Vapor Pressure:1.68E-07mmHg at 25°C
Boiling Point:427.1°Cat760mmHg
Flash Point:212.1°C
Density:1.32g/cm³
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:324.11100700
Heavy Atom Count:24
Complexity:428

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)NC(=O)OCC#CCOC(=O)NC2=CC=CC=C2

Technology Process of But-2-yne-1,4-diyl bis(phenylcarbamate)

There total 2 articles about But-2-yne-1,4-diyl bis(phenylcarbamate) 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: 96.0%

: 16669-40-2
but-2-yne-1,4-bisoxycarbonylchloride

: 62-53-3
aniline

: 21840-67-5
1,4-bis-phenylcarbamoyloxy-but-2-yne

Guidance literature:: With sodium hydrogencarbonate; In dichloromethane; at 0 - 28 ℃;
DOI:10.1021/ol051960z

Reference yield:

: 110-65-6
1,4-dihydroxybut-2-yne

: 103-71-9
phenyl isocyanate

: 21840-67-5
1,4-bis-phenylcarbamoyloxy-but-2-yne

Guidance literature:

Reference yield:

: 573-57-9
1,4-dihydronaphthalene-1,4-epoxide

: 21840-67-5
1,4-bis-phenylcarbamoyloxy-but-2-yne

: C₂₈H₂₄N₂O₅

: C₂₈H₂₄N₂O₅

Guidance literature:: With C₂₆H₂₆N₃Ru⁽¹⁺⁾*F₆P^(1-); tetra-(n-butyl)ammonium iodide; In butanone; at 100 ℃; for 0.5h; Overall yield = 63 percent; stereoselective reaction;
DOI:10.1021/acscatal.9b03858