4-(Benzyloxy)-1H-indole-3-carbaldehyde

Basic Information

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CAS Number

7042-71-9

Molecular Formula

C16H13NO2

Molecular Weight

251.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

167°C (dec.)

Boiling Point

474.2°C at 760 mmHg

SMILES

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C1=CC=C(C=C1)COC2=CC=CC3=C2C(=CN3)C=O

InChI

InChI=1S/C16H13NO2/c18-10-13-9-17-14-7-4-8-15(16(13)14)19-11-12-5-2-1-3-6-12/h1-10,17H,11H2

InChIKey

WURDDLFAUSUSLT-UHFFFAOYSA-N

LogP

3.559400000000002

Topological Polar Surface Area

42.09 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

301

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

Air Sensitive

Synonyms & References

English

4-BENZYLOXYINDOLE-3-CARBALDEHYDE
7042-71-9
DS-0064
WURDDLFAUSUSLT-UHFFFAOYSA-N
4-phenylmethoxy-1H-indole-3-carbaldehyde
A836881
AKOS005206842
4-Benzyloxyindole-3-carboxaldehyde, AldrichCPR
A9290
4-(benzyloxy)-1H-indole-3-carbaldehyde
BDBM78438
MLS001359939
4-phenylmethoxy-1H-indole-3-carboxaldehyde
MFCD00152002
CHEMBL1562368
4-benzoxy-1H-indole-3-carbaldehyde
CS-W012628
AM804257
SCHEMBL1419107
EN300-1275514
FT-0617669
SY101192
AC-22686
DTXSID40426780
cid_7015846
4-(benzyloxy)-1H-indole-3-carbaldehyde;4-Benzyloxyindole-3-carbaldehyde
SMR001224350
9-OXO-9-OXIME-FLUORENE-4-CARBOXYLICACID
HMS3036F24
4-Benayloxyindole-3-carboxaldehyde
4-(Benzyloxy)indole-3-carbaldehyde

MDL Number

MFCD00152002

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 4-(Benzyloxy)-1H-indole-3-carbaldehyde (CAS: 7042-71-9)?

4-(Benzyloxy)-1H-indole-3-carbaldehyde is a white crystalline solid with a molecular weight of approximately 282.25 g/mol. It is sparingly soluble in water but more soluble in organic solvents like ethanol and dichloromethane. This compound is prone to oxidation and exhibits moderate reactivity under basic conditions. It is a valuable intermediate in organic synthesis.

How is 4-(Benzyloxy)-1H-indole-3-carbaldehyde (CAS: 7042-71-9) typically synthesized?

4-(Benzyloxy)-1H-indole-3-carbaldehyde is typically synthesized via a multi-step process starting from indole. The key steps include protection of the indole with a benzyloxycarbonyl group, followed by an oxidation reaction to introduce the aldehyde functionality. This process is carried out under controlled conditions to ensure high yield and selectivity.

What industries use 4-(Benzyloxy)-1H-indole-3-carbaldehyde (CAS: 7042-71-9)?

4-(Benzyloxy)-1H-indole-3-carbaldehyde (CAS: 7042-71-9) is primarily used in the pharmaceutical industry as a precursor for the synthesis of various biologically active compounds. It also finds applications in the production of certain dyes and as a key intermediate in the synthesis of materials for sensors and semiconductors.

What precautions should be taken when handling 4-(Benzyloxy)-1H-indole-3-carbaldehyde (CAS: 7042-71-9)?

When handling 4-(Benzyloxy)-1H-indole-3-carbaldehyde, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a laboratory coat. Work should be conducted in a well-ventilated area or under a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials. Always consult the safety data sheet (SDS) for detailed handling and disposal information.