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Retrosynthesis · AI + evidence

Acetaminophen (C8H9NO2)

acetaminophen (C8H9NO2; CAS 103-90-2) is a practical retrosynthesis target. acetaminophen presents a C8 framework, aromatic rings, an amide. Open AI route search in one click below.

Target
Acetaminophen
CAS
103-90-2
Formula
C8H9NO2
Approx. MW
151.17
SMILES
CC(=O)Nc1ccc(O)cc1
PubChem CID
1983
Approx. carbons
C8

Acetaminophen structure

Properties

IUPAC name
N-(4-hydroxyphenyl)acetamide
Common names
acetaminophen; Paracetamol; 4-Acetamidophenol; 103-90-2; N-(4-Hydroxyphenyl)acetamide; Tylenol; APAP; 4'-Hydroxyacetanilide; Datril; Panadol
Molecular weight
151.16
Exact mass
151.06
InChIKey
RZVAJINKPMORJF-UHFFFAOYSA-N
Melting point
336 to 342 °F (NTP, 1992)
Boiling point
>500
Density
1.293 at 70 °F (NTP, 1992) - Denser than water; will sink

Example route

AI-precomputed example (not literature-verified). Full route page

Acetylate 4-aminophenol with acetic anhydride (or acetyl chloride) to give acetaminophen. … (2 steps total)

Acetylate 4-aminophenol with acetic anhydride (or acetyl chloride) to give acetaminophen. → Reduce 4-nitrophenol to 4-aminophenol (e.g. catalytic hydrogenation or Fe/HCl).

View example route for Acetaminophen

View on PubChem

Acetaminophen 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Acetaminophen?

Acetaminophen has molecular formula C8H9NO2. Molecular weight about 151.17 g·mol⁻¹.

How can Acetaminophen be synthesized?

Acetylate 4-aminophenol with acetic anhydride (or acetyl chloride) to give acetaminophen. Then Reduce 4-nitrophenol to 4-aminophenol (e.g. catalytic hydrogenation or Fe/HCl).

What is the CAS number of Acetaminophen?

The CAS Registry Number for Acetaminophen is 103-90-2.

Run AI retrosynthesis for Acetaminophen Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C8H9NO2.

Related targets

Similar compounds

Methyl n-Phenylcarbamate1-Acetyl-2-phenylhydrazine2-Benzimidazolylurea2'-Chloroacetanilide4-Acetamidobenzenesulfonamide4-Acetamidothiophenol

Browse the full target catalog

References & tools