5,7-ジヒドロ-2-メチルチエノ[3,4-d]ピリミジン
5,7-Dihydro-2-methylthieno(3,4-d)pyrimidine
基本情報
- CAS
36267-71-7- 標準SMILES
Cc1ncc2c(n1)CSC2- InChIKey
XSUYIZJJKIKWFN-UHFFFAOYSA-N- 分子式
- C7H8N2S
- 平均分子量
- 152.22 g/mol
- 単同位体質量
- 152.04081944
概要
5,7-Dihydro-2-methylthieno[3,4-d]pyrimidine is an organic heterobicyclic compound, an organonitrogen heterocyclic compound and an organosulfur heterocyclic compound.
名称と識別子
- 優先名称
- 5,7-Dihydro-2-methylthieno(3,4-d)pyrimidine
- IUPAC
- 2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine
- 現地名
- 5,7-ジヒドロ-2-メチルチエノ[3,4-d]ピリミジン
- 英語名
- 5,7-Dihydro-2-methylthieno[3,4-d]pyrimidine
- 分子式
- C7H8N2S
- 分子量
- 152.22
名称と別名
2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine36267-71-75,7-dihydro-2-methylthieno[3,4-d]pyrimidine5,7-Dihydro-2-methylthieno(3,4-d)pyrimidineFEMA No. 3338popcorn pyrimidinethienyl pyrimidineEINECS 252-940-82-Methyl-5,7-dihydrothieno(3,4-d)pyrimidineThieno(3,4-d)pyrimidine, 5,7-dihydro-2-methyl-UNII-56X379115Y2-METHYL-5H,7H-THIENO[3,4-D]PYRIMIDINE
名称をさらに表示
5,7-ジヒドロ-2-メチルチエノ[3,4-d]ピリミジン2-メチル-5,7-ジヒドロチエノ[3,4-D]ピリミジン2-メチル-5H,7H-チエノ[3,4-d]ピリミジンFEMA 3338popcornaroma1% Popcorn Aroma in PGThieno,4-DpyriMidine,5,7-dihydro-2-Methyl5,7Dihydro-2-Methylthieno(3,4-d) pyriMieine4-d]pyrimidine,5,7-dihydro-2-methyl-thieno[5,7-Dhydro-2-methythieno-(3.4-dj-pyrimidine5,7-DIHYDRO-2-METHYLTHIENO(3,4-D) PYRIMIDINE
Thieno[3,4-d]pyrimidine, 5,7-dihydro-2-methyl-56X379115YDTXSID10520385,7-DIHYDRO-2-METHYLTHIENO(3,4-D)PYRIMIDINE [FHFI]2-methyl-5H,7H-thieno(3,4-d)pyrimidineRefChem:101334DTXCID60306055,7-DIHYDRO-2-METHYL THIENO (3,4-D)PYRIMIDINE
データベース識別子
- CAS
36267-71-7- PubChem CID
- 61951
- DTXSID
DTXSID1052038- ChEBI
CHEBI:178139- UNII
- 56X379115Y
- EC Number
- 252-940-8
- Nikkaji
- J319.618F
物性
構造計算による物性
- XLogP
- 0.7
- 極性表面積
- 51.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 0
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 129
実験および物理化学的性質
FragrancesFragrance Ingredient (5,7-Dihydro-2-methylthieno(3,4-d)pyrimidine) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
very slightly
Very slighlty soluble in water
Soluble (in ethanol)
Boiling Point280.00 to 281.00 °C. @ 760.00 mm Hg
Melting Point64.5 - 65 °C
Physical Description
Solid
Solid; Meaty roasted aroma
物理化学的性質
- 融点
- 64.5 · 64.5-65 °C
- 沸点
- 280.8 · 280.8±40.0 °C(Predicted)
- 比重(密度)
- 1.26 · 1.260±0.06 g/cm3(Predicted)
- FEMA
- 3338 · 3338 | 5,7-DIHYDRO-2-METHYLTHIENO(3,4-D)PYRIMIDINE
- 貯蔵温度
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H302 (90.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 115 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Thieno[3,4-d]pyrimidine, 5,7-dihydro-2-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Thieno3,4-dpyrimidine, 5,7-dihydro-2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (90.4%)
安全データ
- tsca
- TSCA listed
- hs_code
- 2934999090
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationThieno[3,4-d]pyrimidine, 5,7-dihydro-2-methyl-: ACTIVE
調製方法
製造方法By reaction of acetamidine HCl with 3-carbomethyoxytetrahydro-4-furanones
関連反応
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