CID 12306100

Base Information

Chemical Name:CID 12306100
CAS No.:49841-95-4
Molecular Formula:C₁₆H₁₉N₃O₄S
Molecular Weight:349.411
Hs Code.:
DSSTox Substance ID:DTXSID901105103
Nikkaji Number:J1.103.706B

Synonyms:49841-95-4;DTXSID901105103;(2S,5R,6S)-6-[[(2R)-2-Amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Suppliers and Price of CID 12306100

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of CID 12306100

Chemical Property:

XLogP3:-1.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:349.10962727
Heavy Atom Count:24
Complexity:562

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C
Isomeric SMILES:CC1([C@@H](N2[C@H](S1)[C@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C

Technology Process of CID 12306100

There total 9 articles about CID 12306100 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: 53.0%

: 65587-54-4
2',2'-Dibrompropoxycarbonyl-ampicillin-ONa

: 69-53-4,19379-33-0,33993-48-5,49841-95-4,58770-00-6
ampicillin

Guidance literature:: With lithium cobalt(I)-phthalocyanine; phenol; In acetonitrile; for 0.25h; Ambient temperature;

Reference yield: 32.0%

: 3511-16-8,10449-21-5,18715-92-9,34029-67-9,40439-01-8
6-epi-hetacillin

: 69-53-4,19379-33-0,33993-48-5,49841-95-4,58770-00-6
6-epi-ampicillin

Guidance literature:: In water; at 35 ℃; for 4h; pH 7.0;
DOI:10.1021/jo981628j

Reference yield:

: 551-16-6
6-Aminopenicillanic Acid

: 6591-61-3,24461-61-8,26682-99-5,37760-98-8
D-(-)-α-aminophenylacetic acid methyl ester

: 69-53-4,19379-33-0,33993-48-5,49841-95-4,58770-00-6
ampicillin

Guidance literature:: With phosphate buffer; Product distribution; penicillin aminohydrolase E_.⁽⁵⁾C_3111.; variation of pH, temperature, concentration;