Ethyl 2-(formylamino)-alpha-oxo-4-thiazoleacetate

HCID 2733245

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 64987-03-7
표준 SMILES: CCOC(=O)C(=O)c1csc(NC=O)n1
InChIKey: NTACMHVXGGGRQU-UHFFFAOYSA-N
분자식: C8H8N2O4S
평균 분자량: 228.23 g/mol
단동위원소 질량: 228.02047774

이름 및 식별자

우선 이름: Ethyl 2-(formylamino)-alpha-oxo-4-thiazoleacetate
IUPAC: ethyl 2-(2-formamido-1,3-thiazol-4-yl)-2-oxoacetate
영어명: ETHYL 2-(2-FORMYLAMINO-1,3-THIAZOL-4-YL)-2-OXOACETATE
분자식: C8H8N2O4S
분자량: 228.23

이름 및 동의어

64987-03-7Ethyl 2-formamido-alpha-oxothiazol-4-acetateEthyl 2-(formylamino)-alpha-oxo-4-thiazoleacetateRefChem:593998265-299-4Ethyl 2-(2-formamidothiazol-4-yl)-2-oxoacetateethyl 2-(formylamino)-4-thiazoleglyoxylateETHYL 2-(2-FORMYLAMINO-1,3-THIAZOL-4-YL)-2-OXOACETATEethyl 2-(2-formamido-1,3-thiazol-4-yl)-2-oxoacetateMFCD00010412Ethyl (2-formamido-1,3-thiazol-4-yl)glyoxylateDTXSID6057794

이름 더 보기

EFTGLABOTEST-BB LT00441209Ethyl-2-(2-ForMylaMinothiazol-ethyl 2-formamido-α-oxothiazol-4-acetateethyl 2-formamido-a-oxothiazol-4-acetateethyl 2-(formylamino)-4-thiazoleglyoxalateETHYL 2-(FORMYLAMINO)THIAZOL-4-YLGLYOXYLATEEthyl2-(2-formamidothiazol-4-yl)-2-oxoacetate

ethyl 2-(2-formylaminothiazol-4-yl)glyoxylateEthyl [2-(formylamino)-1,3-thiazol-4-yl](oxo)acetateethyl (2-formamido-1,3-thiazol-4-yl)(oxo)acetate2-(Formylamino)-a-oxo-4-thiazoleacetic Acid Ethyl Esterethyl 2-(2-carbonylamino(1,3-thiazol-4-yl))-2-oxoacetate(2-Formylaminothiazol-4-yl)-oxo-acetic acid ethyl esterEINECS 265-299-4E7JB53S9QE

데이터베이스 식별자

CAS: 64987-03-7
PubChem CID: 2733245
DTXSID: DTXSID6057794
ChEMBL: CHEMBL3561164
UNII: E7JB53S9QE
EC Number: 265-299-4
Nikkaji: J286.620J

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 114 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 5
무거운 원자 수: 15
형식 전하: 0
복잡도: 271

물리화학적 성질

녹는점: 232 · 232-234 °C
끓는 점: 381.3 · 381.3±34.0 °C(Predicted)
밀도: 1.515 · 1.5150 (rough estimate)
굴절률: 1.569 · 1.5690 (estimate)
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨, 가열), DMSO(약간 용해됨)
산도 계수 (pKa): 8.11 · 8.11±0.70(Predicted)
물리적 상태: 고체
색상: 연노랑

화학적 성질

light yellow powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (23.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: 4-Thiazoleacetic acid, 2-(formylamino)-.alpha.-oxo-, ethyl ester

Status: Active Update: 20-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21360

Hazard Classes and CategoriesAcute Tox. 4 (23.1%)

안전 데이터

HS 번호: 29341000
risk_code: 36/37/38-22
hazard_code: Xn,Xi
safety_code: 36/37/39-26-37/39

화학 및 산업

응용 분야

용도Ethyl 2-(2-Formamidothiazol-4-yl)-2-oxoacetate is an intermediate formed in the synthesis of Cefixime Ethyl Ester Sodium Salt (C242830), an ester impurity of the third generation cephalosporin antibiotic, Cefixime (C242800).