Description

1,2,3,4-Tetrahydro-2-naphthoic acid (CAS No. 53440-12-3) is a high-purity organic compound with the molecular formula C₁₁H₁₂O₂. This carboxylic acid derivative of tetralin (1,2,3,4-tetrahydronaphthalene) is a valuable intermediate in pharmaceutical and fine chemical synthesis. The compound features a partially hydrogenated naphthalene ring system with a carboxyl group at the 2-position, offering unique reactivity for cyclization and functionalization reactions.

Our product is supplied as a white to off-white crystalline powder with ≥98% purity (HPLC), rigorously tested by GC-MS and ¹H NMR to ensure structural integrity. Suitable for use as:

• Building block for non-steroidal anti-inflammatory drugs (NSAIDs)
• Precursor for liquid crystal materials
• Intermediate in agrochemical synthesis

Packaged under inert gas in amber glass bottles to ensure stability. Technical data sheet includes full spectroscopic data (IR, NMR, MS), solubility characteristics (soluble in ethanol, ether; slightly soluble in water), and melting point range (98-102°C).

Properties

• CAS Number: 53440-12-3
• Complexity: 200
• IUPAC Name: tetralin-2-carboxylic acid
• InChI: InChI=1S/C11H12O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2,(H,12,13)
• InChI Key: NTAGXJQHJQUOOA-UHFFFAOYSA-N
• Exact Mass: 176.083729621
• Molecular Formula: C11H12O2
• Molecular Weight: 176.21
• SMILES: C1CC2=CC=CC=C2CC1C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 176.083729621
• Synonyms: 1,2,3,4-Tetrahydro-2-naphthoic acid, 53440-12-3, EINECS 258-553-0, 2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-, Tetrahydro-.beta.-naphthoic acid, NSC 408608, 1,2,3,4-Tetrahydro-.beta.-naphthoic acid, Tetrahydro-beta-naphthoic acid, 1,2,3,4-Tetrahydro-beta-naphthoic acid, 258-553-0, ntagxjqhjquooa-uhfffaoysa-n, 1,2,3,4-tetrahydronaphthalene-2-carboxylic acid, Tetralin-2-carboxylic acid, 1,2,3,4-Tetrahydro-2-naphthalenecarboxylic acid, MFCD00001741, 1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid, NSC408608, SCHEMBL367535, SCHEMBL11560802, DTXSID10871425, BCP26089, AKOS009158817, CS-W005360, FS-3781, NSC-408608, FT168033, SY046895, DB-018711, NS00059962, 1,2,3,4-Tetrahydro-2-naphthoic acid, 98%, EN300-86135, 1,2,3,4-tetrahydronaphthalen-2-carboxylic acid, AE-562/43460172, 1,2,3,4-Tetrahydro-2-naphthalenecarboxylic acid #, F2173-1243, Z792377344, 1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;Tetralin-2-carboxylic acid

Application

1,2,3,4-Tetrahydro-2-naphthoic acid serves as a key synthetic intermediate in medicinal chemistry, particularly for developing tetralin-based pharmaceutical compounds. Researchers utilize this material for constructing COX-2 inhibitor scaffolds and other bioactive molecules targeting inflammatory pathways. The compound’s partially saturated aromatic system makes it valuable for studying structure-activity relationships in drug design. Additionally, it finds use in materials science as a precursor for organic semiconductors and liquid crystalline materials.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.6%)

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