(E)-3-(3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl)acrylaldehyde

Base Information

Chemical Name:(E)-3-(3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl)acrylaldehyde
CAS No.:93957-50-7
Molecular Formula:C20H18FNO
Molecular Weight:307.367
Hs Code.:2933990090
European Community (EC) Number:425-370-4,618-988-2
DSSTox Substance ID:DTXSID301153342
Nikkaji Number:J477.159A
Wikidata:Q76414809
Mol file:93957-50-7.mol

Synonyms:93957-50-7;(E)-3-(3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl)acrylaldehyde;129332-30-5;Fenal;1-Isopropyl-2-acrolein-3-(4-fluorophenyl)-indole;(e)-3-[3'-(4''-fluorophenyl)-1'-(1''-methylethyl)-1h-indol-2''-yl]-2-propnal;(E)-3-[3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl]-propenal;3-(3-4-fluorophenyl-1-isopropyl-1h-indole-2-yl) propenal;(E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal;3-(3-(4-FLUOROPHENYL)-1-ISOPROPYL-1H-INDOL-2-YL)ACRYLALDEHYDE;(2E)-3-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-2-propenal;(E)-3-[3-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)-2-INDOLYL]PROPENAL;EC 425-370-4;2-Propenal, 3-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-, (2E)-;3-[3-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)-1H-INDOL-2-YL]-(E)-2-PROPENAL;(2E)-3-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]prop-2-enal;3-(3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl)-(E)-2-propenal;C20H18FNO;(E)-3-[3'-(4"-Fluorophenyl)-1'-(1"-methylethyl)-1H-indol-2"-yl]-2-propnal;(e)-3-[3-(4-fluoro-phenyl)-1-isopropyl-1h-indol-2-yl]-propenal;SCHEMBL5847130;DTXSID301153342;MFCD03840863;AKOS015896063;CS-W008265;AC-26812;AC-29005;AS-12807;F0819;A1-01698;Q-102780;(E)-3-[3-(4-Fluorophenyl)-1-isopropylindol-2-yl]acrolein;(E)-3-[3-(4-Fluorophenyl)-1-isopropylindol-2-yl]propenal;3-(3-4-fluorophenyl-1-isopropyl-1h-indole-2-yl)propenal;(e)-3-(3-(4-fluorophenyl)-1-isopropyl-1h-indol-2-yl) acrylaldehyde;(E)-3-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]prop-2-enal;(E)-3-[3-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)-1H-INDOL-2-YL]-2-PROPENAL;2-Propenal, 3-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-, (E)-

Suppliers and Price of (E)-3-(3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl)acrylaldehyde

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

TCI Chemical
(E)-3-[3-(4-Fluorophenyl)-1-isopropylindol-2-yl]acrolein >98.0%(GC)
25g
$ 593.00

TCI Chemical
(E)-3-[3-(4-Fluorophenyl)-1-isopropylindol-2-yl]acrolein >98.0%(GC)
5g
$ 172.00

Chemenu
(E)-3-(3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl)acrylaldehyde 95%+
100g
$ 234.00

Chemenu
(E)-3-(3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl)acrylaldehyde 95%+
500g
$ 608.00

American Custom Chemicals Corporation
(E)-3-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-1H-INDOL-2-YL]-PROPENAL 95.00%
5G
$ 1347.37

Alichem
(E)-3-(3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl)acrylaldehyde
100g
$ 518.96

Alichem
(E)-3-(3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl)acrylaldehyde
25g
$ 214.00

AK Scientific
(E)-3-[3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl]-propenal
25g
$ 100.00

Total 93 raw suppliers

Chemical Property of (E)-3-(3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl)acrylaldehyde

Chemical Property:

Melting Point:127-129oC
Boiling Point:497.643 °C at 760 mmHg
Flash Point:254.766 °C
PSA：22.00000
Density:1.105 g/cm³
LogP:5.24040
Storage Temp.:Inert atmosphere,Store in freezer, under -20°C
XLogP3:4.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:307.137242360
Heavy Atom Count:23
Complexity:427

Purity/Quality:

99% ^*data from raw suppliers

(E)-3-[3-(4-Fluorophenyl)-1-isopropylindol-2-yl]acrolein >98.0%(GC) ^*data from reagent suppliers

Safty Information:

Pictogram(s): R43:May cause sensitization by skin contact.; R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects
Hazard Codes: Xi:Irritant;
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Statements: R43:May cause sensitization by skin contact.; R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects
Safety Statements: S2:Keep out of the reach of children.; S22:Do not breathe dust. ; S24:Avoid contact with skin.; S37:Wear su

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)N1C2=CC=CC=C2C(=C1C=CC=O)C3=CC=C(C=C3)F
Isomeric SMILES:CC(C)N1C2=CC=CC=C2C(=C1/C=C/C=O)C3=CC=C(C=C3)F

Technology Process of (E)-3-(3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl)acrylaldehyde

There total 19 articles about (E)-3-(3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl)acrylaldehyde 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: 89.0%

: 14189-82-3
3-(N-Methylanilino)-2-propenal

: 93957-49-4
3-(4'-fluorophenyl)-1-(1'-methylethyl)-1H-indole

: 93957-50-7
3-<3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl>-2(E)-propenal

Guidance literature:: 3-(N-Methylanilino)-2-propenal; With trichlorophosphate; In acetonitrile; at -5 - 7 ℃; for 0.916667h; Inert atmosphere;

3-(4'-fluorophenyl)-1-(1'-methylethyl)-1H-indole; In acetonitrile; for 3h; Reflux; Inert atmosphere;
DOI:10.1021/jo101542y

Reference yield: 53.0%

: 34900-01-1
3-(N-methyl-N-phenylamino)acrolein

: 93957-49-4
3-(4'-fluorophenyl)-1-(1'-methylethyl)-1H-indole

: 93957-50-7
3-<3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl>-2(E)-propenal

Guidance literature:: 3-(N-methyl-N-phenylamino)acrolein; 3-(4'-fluorophenyl)-1-(1'-methylethyl)-1H-indole; With trichlorophosphate; In acetonitrile; at 5 - 60 ℃; for 4.5 - 7h;

With water; at 60 ℃; for 1h;

Reference yield:

: (E)-3-(3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl)prop-2-en-1-ol

: (Z)-3-(3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl)acrylaldehyde

: 93957-50-7
3-<3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl>-2(E)-propenal

Guidance literature:: With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In dimethyl sulfoxide; at 20 ℃; for 3h; Overall yield = 80 %; Overall yield = 8 mg; diastereoselective reaction;
DOI:10.1039/c5ob01632k