3-(1H-Pyrrol-1-yl)benzaldehyde

Base Information

Chemical Name:3-(1H-Pyrrol-1-yl)benzaldehyde
CAS No.:129747-77-9
Molecular Formula:C11H9NO
Molecular Weight:171.199
Hs Code.:2933990090
DSSTox Substance ID:DTXSID20380159
Wikidata:Q72505724
Mol file:129747-77-9.mol

Synonyms:3-(1H-Pyrrol-1-yl)benzaldehyde;129747-77-9;3-pyrrol-1-ylbenzaldehyde;3-Pyrrol-1-yl-benzaldehyde;3-(1-pyrrolyl)benzaldehyde;SCHEMBL4024285;AMY4713;DTXSID20380159;PALTUANHIBXQMX-UHFFFAOYSA-N;MFCD03086140;AKOS006228829;PS-4300;SB62128;CS-0207154;FT-0613496;3-(1H-Pyrrol-1-yl)benzaldehyde, AldrichCPR;A25692

Suppliers and Price of 3-(1H-Pyrrol-1-yl)benzaldehyde

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

TRC
3-(1H-pyrrol-1-yl)benzaldehyde
50mg
$ 60.00

SynQuest Laboratories
3-(1H-Pyrrol-1-yl)benzaldehyde
10 g
$ 992.00

SynQuest Laboratories
3-(1H-Pyrrol-1-yl)benzaldehyde
250 mg
$ 120.00

SynQuest Laboratories
3-(1H-Pyrrol-1-yl)benzaldehyde
1 g
$ 152.00

Crysdot
3-(1H-Pyrrol-1-yl)benzaldehyde 95+%
5g
$ 484.00

Chemenu
3-(1H-pyrrol-1-yl)benzaldehyde 95%
5g
$ 284.00

Apolloscientific
3-(1H-Pyrrol-1-yl)benzaldehyde
1g
$ 138.00

Apolloscientific
3-(1H-Pyrrol-1-yl)benzaldehyde
250mg
$ 109.00

Apolloscientific
3-(1H-Pyrrol-1-yl)benzaldehyde
10g
$ 899.00

American Custom Chemicals Corporation
3-(1H-PYRROL-1-YL)BENZALDEHYDE 95.00%
1G
$ 769.60

Total 28 raw suppliers

Chemical Property of 3-(1H-Pyrrol-1-yl)benzaldehyde

Chemical Property:

Appearance/Colour:Light yellow powder
Vapor Pressure:0.000551mmHg at 25°C
Melting Point:54 °C
Refractive Index:1.573
Boiling Point:311.8 °C at 760 mmHg
PKA:-5.55±0.70(Predicted)
Flash Point:142.4 °C
PSA：22.00000
Density:1.06 g/cm³
LogP:2.28980
Storage Temp.:2-8°C
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:171.068413911
Heavy Atom Count:13
Complexity:175

Purity/Quality:

97% ^*data from raw suppliers

3-(1H-pyrrol-1-yl)benzaldehyde ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36
Safety Statements: 24/25-26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CN(C=C1)C2=CC=CC(=C2)C=O

Technology Process of 3-(1H-Pyrrol-1-yl)benzaldehyde

There total 3 articles about 3-(1H-Pyrrol-1-yl)benzaldehyde 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: 76.0%

: 179055-25-5
3-(1H-pyrrol-1-yl)-N-methoxy-N-methylbenzamide

: 129747-77-9
3-(1H-pyrrol-1-yl)benzaldehyde

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; at 5 ℃; for 2h;
DOI:10.1021/jm9800853

Reference yield:

: 61471-45-2
3-(1H-pyrrol-1-yl)benzoic acid

: 129747-77-9
3-(1H-pyrrol-1-yl)benzaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: 75 percent / 1-hydroxybenzotriazole, 1-(3-(dimethylamino)propyl)-3-ethylcarbodiimide / CH₂Cl₂ / 20 h / Ambient temperature

2: 76 percent / LiAlH₄ / tetrahydrofuran / 2 h / 5 °C

With lithium aluminium tetrahydride; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jm9800853