Yingzhaosu C, (3S-cis)-

Base Information

• Chemical Name: Yingzhaosu C, (3S-cis)-
• CAS No.: 2302-89-8
• Molecular Formula: C₁₄H₂₃N₃O
• Molecular Weight: 249.356
• UNII: 4L921Q1923
• Nikkaji Number: J654.701J
• Wikidata: Q27259982
• Mol file: 2302-89-8.mol

Synonyms:Yingzhaosu C, (3S-cis)-;4L921Q1923;(3S-cis)-yingzhaosu c;UNII-4L921Q1923;NSC 167607;Q27259982;1,2-Dioxane-3-methanol, alpha,alpha,6-trimethyl-6-(4-methylphenyl)-, (3S-cis)-;1,2-DIOXANE-3-METHANOL, .ALPHA.,.ALPHA.,6-TRIMETHYL-6-(4-METHYLPHENYL)-, (3S-CIS)-

Chemical Property of Yingzhaosu C, (3S-cis)-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 67.48000
• Density: 1.06g/cm³
• LogP: 4.20460
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 250.15689456
• Heavy Atom Count: 18
• Complexity: 282

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2(CCC(OO2)C(C)(C)O)C
• Isomeric SMILES: CC1=CC=C(C=C1)[C@]2(CC[C@H](OO2)C(C)(C)O)C

Technology Process of Yingzhaosu C, (3S-cis)-

There total 4 articles about Yingzhaosu C, (3S-cis)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

semicarbazide acetate (56542-16-6) → 4c-(2,6,6-trimethyl-cyclohex-1-enyl)-but-3-en-2-one semicarbazone (2302-89-8,109963-37-3)

Guidance literature:

With methanol; unter Auschluss von Licht und Luft;

DOI:10.1021/ja01566a081

Reference yield:

alpha-ionone (127-41-3) → 4-(2,6,6-trimethyl-cyclohex-1-enyl)-but-3-en-2-one semicarbazone (2302-89-8,109963-37-3)

Guidance literature:

Multi-step reaction with 2 steps

1: concentrated sulfuric acid

2: sodium acetate; aqueous alcohol / Trennen des 4-<2.6.6-Trimethyl-cyclohex-2-enyl>-but-3-en-2-on-semicarbazons durch Umkrystallisieren aus Alkohol

With ethanol; sulfuric acid; sodium acetate;

Reference yield:

4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one (79-77-6,14901-07-6) + semicarbazide hydrochloride (563-41-7) → 4-(2,6,6-trimethyl-cyclohex-1-enyl)-but-3-en-2-one semicarbazone (2302-89-8,109963-37-3)

Guidance literature:

With ethanol; sodium acetate; Trennen des 4-<2.6.6-Trimethyl-cyclohex-2-enyl>-but-3-en-2-on-semicarbazons durch Umkrystallisieren aus Alkohol;

upstream raw materials:

methanol

semicarbazide acetate

2,5,5,8a-tetramethyl-6,7,8,8a-tetrahydro-5H-chromene

4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one