1-METHOXY-2-NAPHTHOIC산

1-Methoxy-2-naphthoic acid

HCID 608722

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 883-21-6
표준 SMILES: COc1c(C(=O)O)ccc2ccccc12
InChIKey: PMJACRPIWSINFF-UHFFFAOYSA-N
분자식: C12H10O3
평균 분자량: 202.21 g/mol
단동위원소 질량: 202.06299418

이름 및 식별자

우선 이름: 1-Methoxy-2-naphthoic acid
IUPAC: 1-methoxynaphthalene-2-carboxylic acid
현지명: 1-METHOXY-2-NAPHTHOIC산
영어명: 1-Methoxy-2-naphthoic acid
분자식: C12H10O3
분자량: 202.21

이름 및 동의어

1-Methoxy-2-naphthoic acid883-21-6DTXSID30346009RefChem:433488DTXCID30297082891-114-71-methoxynaphthalene-2-carboxylic acid1-methoxy-2-naphthalenecarboxylic acidMFCD000941692-Naphthalenecarboxylic acid, 1-methoxy-1-Methoxy-2-naphthoic acid #1-Methoxy-2-naphthoic acid, 97%

이름 더 보기

1-METHOXY-2-NAPHTHOIC산Xanthosine Impurity 31-Methoxy-2-naphthoic acid 97%

AKOS0090761361-methoxy-naphthalene-2-carboxylic acidLS-08565CS-0204700E781351-Methoxy-naphthoic acid1-METHOXY-2-NAPHTHOICACIDFT-0633076

데이터베이스 식별자

CAS: 883-21-6
PubChem CID: 608722
DTXSID: DTXSID30346009
EC Number: 891-114-7
Nikkaji: J1.046.217G

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 239

물리화학적 성질

녹는점: 125 · 125-129 °C (lit.)
끓는 점: 358.8 · 358.8±17.0 °C(Predicted)
밀도: 1.263 · 1.263±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 4.09 · 4.09±0.30(Predicted)
InChI: 1S/C12H10O3/c1-15-11-9-5-3-2-4-8(9)6-7-10(11)12(13)14/h2-7H,1H3,(H,13,14)
InChIKey: PMJACRPIWSINFF-UHFFFAOYSA-N
SMILES: COc1c(ccc2ccccc12)C(O)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

안전 데이터

wgk: 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도1-Methoxy-2-naphthoic acid may be used in the synthesis of 2-(1-methoxy-2-naphthyl)-4,4-dimethyl-2-oxazoline. It may also be used in the synthesis of the following compounds:1-sec-butyl-2-naphthoic acid1-tert-butyl-2-naphthoic acid1-ethyl-2-naphthoic acid1-vinyl-2-naphthoic acid 1-phenyl-2-naphthoic acid1-(2,5-dimethylphenyl)-2-naphthoic acid2′-methoxy-[1,1′-binaphthalene]-2-carboxylic acid

일반 설명1-Methoxy-2-naphthoic acid can be prepared from 1-methoxynaphthalene. 1-Methoxy-2-naphthoic acid can also be synthesized by reacting potassium tert-butoxide with 1-methoxynaphthalene and butyllithium in the presence of cyclohexane and tetrahydrofuran. It undergoes reduction in the presence of lithium to afford tetrahydronaphthoic acid.