Styramate

Base Information

• Chemical Name: Styramate
• CAS No.: 94-35-9
• Molecular Formula: C9H11 N O3
• Molecular Weight: 181.191
• Hs Code.: 2924299090
• European Community (EC) Number: 202-326-0
• NSC Number: 115889
• UNII: CBK7Y28SP3
• DSSTox Substance ID: DTXSID40861692
• Nikkaji Number: J34.800G
• Wikipedia: Styramate
• Wikidata: Q1300243
• NCI Thesaurus Code: C152442
• Metabolomics Workbench ID: 154175
• ChEMBL ID: CHEMBL2104534
• Mol file: 94-35-9.mol

Synonyms:Styramate;Sinaxar;Linaxar;Myospaz;2-Hydroxy-2-phenylethyl carbamate;94-35-9;Styramat;Stiramato;Estiramato;1,2-ETHANEDIOL, 1-PHENYL-, 2-CARBAMATE;2-Phenyl-2-hydroxyethyl carbamate;beta-Hydroxyphenethyl carbamate;Styramatum;Styramate [INN:BAN];AL 1076;Styramatum [INN-Latin];.beta.-Hydroxyphenethyl carbamate;Estiramato [INN-Spanish];1-Phenyl-1,2-ethanediol 2-carbamate;beta-Hydroxyphenethyl carbamat;NSC 115889;Carbamic acid, beta-hydroxyphenethyl ester;EINECS 202-326-0;(2-hydroxy-2-phenylethyl) carbamate;UNII-CBK7Y28SP3;NSC-115889;BRN 1874189;CBK7Y28SP3;Styramate (INN);Phenethyl alcohol, beta-hydroxy-, alpha-carbamate;Carbamidsaeure-(beta-hydroxy-beta-phenylethylester);1,2-Ethanediol, 1-phenyl-, 2-carbamate, (1S)- (9CI);STYRAMATE [INN];Carbamic acid, .beta.-hydroxyphenethyl ester;styramat-;Styramate [BAN:INN];STYRAMATE [MI];WLN: ZVO1YQR;STYRAMATE [VANDF];STYRAMATE [MART.];STYRAMATE [WHO-DD];beta-Hydroxyphenethylcarbamate;SCHEMBL487238;1, 1-phenyl-, 2-carbamate;.beta.-Hydroxyphenethylcarbamate;CHEMBL2104534;DTXSID40861692;CHEBI:134820;NSC115889;Phenethyl alcohol, .alpha.-carbamate;AKOS006272565;AL-1076;DB13357;AS-68660;LS-65539;D07274;EN300-218919;Q1300243;Phenethyl alcohol, .beta.-hydroxy-, .alpha.-carbamate;Z1198155491

Chemical Property of Styramate

Chemical Property:

• Vapor Pressure: 2.51E-07mmHg at 25°C
• Melting Point: 111-112°
• Refractive Index: 1.5270 (estimate)
• Boiling Point: 406.2°C at 760 mmHg
• PKA: 13.17±0.20(Predicted)
• Flash Point: 199.4°C
• PSA: 72.55000
• Density: 1.256g/cm³
• LogP: 1.51560
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 181.07389321
• Heavy Atom Count: 13
• Complexity: 166

Purity/Quality:

(2-HYDROXY-2-PHENYLETHYL) CARBAMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(COC(=O)N)O

Technology Process of Styramate

There total 2 articles about Styramate 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:

→ styramate (94-35-9,807334-25-4)

Guidance literature:

With ammonia; isopropyl alcohol;

DOI:10.1021/jo01090a013

Reference yield:

→ styramate (94-35-9,807334-25-4)

Guidance literature:

Phenylglykol (III), COCl2, Diethyl-phenylamin, NH3;

Reference yield:

styramate (94-35-9,807334-25-4) + 1-Naphthyl isocyanate (86-84-0) → O-<1-Naphthylcarbamoyl>-styramat

Guidance literature:

With stannous octoate; In toluene;

DOI:10.1002/jps.2600541110

Downstream raw materials:

N-Benzyl-carbamidsaeure-(2-hydroxy-2-phenyl-aethylester)

N-Benzyl-β-hydroxy-α-phenyl-aethylcarbamat

2-oxo-2-phenylethyl benzylcarbamate

N-Benzyl-carbamidsaeure-(2-benzyloxy-1-phenyl-aethylester)